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

C50H60Cl2N10O — CID 159177921

IUPAC4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine
SMILESClc1ccc(-c2n[nH]c(C3CCC(NC4CCCCC4)CC3)c2-c2ccncn2)cc1.NC1CCCCC1.O=C1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/C25H30ClN5.C19H17ClN4O.C6H13N/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;20-14-5-1-12(2-6-14)18-17(16-9-10-21-11-22-16)19(24-23-18)13-3-7-15(25)8-4-13;7-6-4-2-1-3-5-6/h6-7,10-11,14-16,18,20-21,29H,1-5,8-9,12-13H2,(H,30,31);1-2,5-6,9-11,13H,3-4,7-8H2,(H,23,24);6H,1-5,7H2
InChIKeyKMNBSOJLFSOJOX-UHFFFAOYSA-N
MW888.00 g/mol
LogP11.83
Rot. Bonds8

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

4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine (PubChem CID 159177921) has the molecular formula C50H60Cl2N10O and a molecular weight of 888.00 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine
PubChem CID159177921
Molecular FormulaC50H60Cl2N10O
Molecular Weight888.00 g/mol
Exact Mass886.43
IUPAC Name4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine
SMILESClc1ccc(-c2n[nH]c(C3CCC(NC4CCCCC4)CC3)c2-c2ccncn2)cc1.NC1CCCCC1.O=C1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/C25H30ClN5.C19H17ClN4O.C6H13N/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;20-14-5-1-12(2-6-14)18-17(16-9-10-21-11-22-16)19(24-23-18)13-3-7-15(25)8-4-13;7-6-4-2-1-3-5-6/h6-7,10-11,14-16,18,20-21,29H,1-5,8-9,12-13H2,(H,30,31);1-2,5-6,9-11,13H,3-4,7-8H2,(H,23,24);6H,1-5,7H2
InChIKeyKMNBSOJLFSOJOX-UHFFFAOYSA-N
XLogP11.83
TPSA164.04 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.00
LogP ≤ 511.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine with MolForge

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Related Compounds

1-[4-[3-(4-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]propan-1-one
CID 60108391
4-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrazol-4-yl]pyrimidine;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;2,2,2-trifluoroacetic acid
CID 169427718
4-[3-(4-Chlorophenyl)-4-pyrimidin-4-yl-1h-pyrazol-5-yl]-n-[(1r)-1-phenylethyl]-trans-cyclohexanamine
CID 10253608
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexyltrans-cyclohexanamine
CID 10410746
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylpiperidin-1-amine
CID 60032974
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidin-1-amine
CID 60032977
N-(1-benzylpiperidin-4-yl)-4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine
CID 60084391
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexanone
CID 60084392
1-[4-[4-[2-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 60084399
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 60084407
[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 60084414
N-(1-benzylpiperidin-4-yl)-4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidin-2-amine
CID 60084417

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine?
The IUPAC name of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine (CID 159177921) is 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine is Clc1ccc(-c2n[nH]c(C3CCC(NC4CCCCC4)CC3)c2-c2ccncn2)cc1.NC1CCCCC1.O=C1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine?
The InChIKey is KMNBSOJLFSOJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5.C19H17ClN4O.C6H13N/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;20-14-5-1-12(2-6-14)18-17(16-9-10-21-11-22-16)19(24-23-18)13-3-7-15(25)8-4-13;7-6-4-2-1-3-5-6/h6-7,10-11,14-16,18,20-21,29H,1-5,8-9,12-13H2,(H,30,31);1-2,5-6,9-11,13H,3-4,7-8H2,(H,23,24);6H,1-5,7H2.
What are the key properties of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine?
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine has a molecular weight of 888.00 g/mol, XLogP of 11.83, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-one;4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-cyclohexylcyclohexan-1-amine;cyclohexanamine is sourced from PubChem (CID 159177921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).