4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine

C25H30ClN5 — CID 10410746

IUPAC4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine
SMILESClc1ccc(-c2n[nH]c(C3CCC(NC4CCCCC4)CC3)c2-c2ccncn2)cc1
InChIInChI=1S/C25H30ClN5/c26-19-10-6-17(7-11-19)24-23(22-14-15-27-16-28-22)25(31-30-24)18-8-12-21(13-9-18)29-20-4-2-1-3-5-20/h6-7,10-11,14-16,18,20-21,29H,1-5,8-9,12-13H2,(H,30,31)
InChIKeySYDRAMVHCGHABX-UHFFFAOYSA-N
MW436.00 g/mol
LogP6.14
Rot. Bonds5

About 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine

4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine (PubChem CID 10410746) has the molecular formula C25H30ClN5 and a molecular weight of 436.00 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine
PubChem CID10410746
Molecular FormulaC25H30ClN5
Molecular Weight436.00 g/mol
Exact Mass435.22
IUPAC Name4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine
SMILESClc1ccc(-c2n[nH]c(C3CCC(NC4CCCCC4)CC3)c2-c2ccncn2)cc1
InChIInChI=1S/C25H30ClN5/c26-19-10-6-17(7-11-19)24-23(22-14-15-27-16-28-22)25(31-30-24)18-8-12-21(13-9-18)29-20-4-2-1-3-5-20/h6-7,10-11,14-16,18,20-21,29H,1-5,8-9,12-13H2,(H,30,31)
InChIKeySYDRAMVHCGHABX-UHFFFAOYSA-N
XLogP6.14
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sd-0006
CID 9865587
4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49765254
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
Pyrazolo[1,5-b]pyridazine deriv. 84
CID 6539426
1-[5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]-3,5-dimethylpiperazine
CID 9842184
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-3-methylpiperazine
CID 22037576
5-bromo-2-N-[(4-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949091
5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949248
4-[3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(1-Methylpiperidin-4-Yl)pyrimidin-2-Amine
CID 49800099
4-[5-Chloro-3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrimidin-2-Amine
CID 49800100
4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671
Piperidinyl triazole derivative 1
CID 53497458

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine?
The IUPAC name of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine (CID 10410746) is 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine is Clc1ccc(-c2n[nH]c(C3CCC(NC4CCCCC4)CC3)c2-c2ccncn2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine?
The InChIKey is SYDRAMVHCGHABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5/c26-19-10-6-17(7-11-19)24-23(22-14-15-27-16-28-22)25(31-30-24)18-8-12-21(13-9-18)29-20-4-2-1-3-5-20/h6-7,10-11,14-16,18,20-21,29H,1-5,8-9,12-13H2,(H,30,31).
What are the key properties of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine?
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine has a molecular weight of 436.00 g/mol, XLogP of 6.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine is sourced from PubChem (CID 10410746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).