N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine

C96H128Cl3FN20O2 — CID 159434397

About N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine

N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine (PubChem CID 159434397) has the molecular formula C96H128Cl3FN20O2 and a molecular weight of 1719.57 g/mol. Its IUPAC name is N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine.

Molecular Properties

• Compound Name: N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine
• PubChem CID: 159434397
• Molecular Formula: C96H128Cl3FN20O2
• Molecular Weight: 1719.57 g/mol
• Exact Mass: 1716.96
• IUPAC Name: N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine
• SMILES: C#CCCC(=O)NC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1.C#CCCCNC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1.C#CCCCNC1CCC(Cc2ncc(F)c(-c3cnn(C)c3CC3CC3)n2)CC1.CCCCC(=O)NC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1
• InChI: InChI=1S/C24H34ClN5O.C24H30ClN5O.C24H32ClN5.C24H32FN5/c2*1-3-4-5-23(31)28-18-10-8-17(9-11-18)13-22-26-15-20(25)24(29-22)19-14-27-30(2)21(19)12-16-6-7-16;2*1-3-4-5-12-26-19-10-8-18(9-11-19)14-23-27-16-21(25)24(29-23)20-15-28-30(2)22(20)13-17-6-7-17/h14-18H,3-13H2,1-2H3,(H,28,31);1,14-18H,4-13H2,2H3,(H,28,31);2*1,15-19,26H,4-14H2,2H3
• InChIKey: LRJUYAGWTSYEBR-UHFFFAOYSA-N
• XLogP: 17.66
• TPSA: 256.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1719.57
LogP ≤ 5	17.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine?

The IUPAC name of N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine (CID 159434397) is N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine.

What is the SMILES notation for N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine?

The canonical SMILES for N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine is C#CCCC(=O)NC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1.C#CCCCNC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1.C#CCCCNC1CCC(Cc2ncc(F)c(-c3cnn(C)c3CC3CC3)n2)CC1.CCCCC(=O)NC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1.

What is the InChIKey of N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine?

The InChIKey is LRJUYAGWTSYEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN5O.C24H30ClN5O.C24H32ClN5.C24H32FN5/c2*1-3-4-5-23(31)28-18-10-8-17(9-11-18)13-22-26-15-20(25)24(29-22)19-14-27-30(2)21(19)12-16-6-7-16;2*1-3-4-5-12-26-19-10-8-18(9-11-19)14-23-27-16-21(25)24(29-23)20-15-28-30(2)22(20)13-17-6-7-17/h14-18H,3-13H2,1-2H3,(H,28,31);1,14-18H,4-13H2,2H3,(H,28,31);2*1,15-19,26H,4-14H2,2H3.

What are the key properties of N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine?

N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine has a molecular weight of 1719.57 g/mol, XLogP of 17.66, 35 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pentanamide;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]pent-4-ynamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]-N-pent-4-ynylcyclohexan-1-amine is sourced from PubChem (CID 159434397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).