1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine)

C66H78Cl3N15 — CID 157345025

IUPAC1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine)
SMILESCC(C)NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.CC(C)NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.CN(C)CC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/3C22H26ClN5/c2*1-14(2)26-18-9-5-16(6-10-18)22-20(19-11-12-24-13-25-19)21(27-28-22)15-3-7-17(23)8-4-15;1-28(2)13-15-3-5-16(6-4-15)21-20(19-11-12-24-14-25-19)22(27-26-21)17-7-9-18(23)10-8-17/h2*3-4,7-8,11-14,16,18,26H,5-6,9-10H2,1-2H3,(H,27,28);7-12,14-16H,3-6,13H2,1-2H3,(H,26,27)
InChIKeyBGVWVLBMCGVGNJ-UHFFFAOYSA-N
MW1187.81 g/mol
LogP15.45
Rot. Bonds15

About 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine)

1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine) (PubChem CID 157345025) has the molecular formula C66H78Cl3N15 and a molecular weight of 1187.81 g/mol. Its IUPAC name is 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine).

Molecular Properties

Compound Name1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine)
PubChem CID157345025
Molecular FormulaC66H78Cl3N15
Molecular Weight1187.81 g/mol
Exact Mass1185.56
IUPAC Name1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine)
SMILESCC(C)NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.CC(C)NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.CN(C)CC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/3C22H26ClN5/c2*1-14(2)26-18-9-5-16(6-10-18)22-20(19-11-12-24-13-25-19)21(27-28-22)15-3-7-17(23)8-4-15;1-28(2)13-15-3-5-16(6-4-15)21-20(19-11-12-24-14-25-19)22(27-26-21)17-7-9-18(23)10-8-17/h2*3-4,7-8,11-14,16,18,26H,5-6,9-10H2,1-2H3,(H,27,28);7-12,14-16H,3-6,13H2,1-2H3,(H,26,27)
InChIKeyBGVWVLBMCGVGNJ-UHFFFAOYSA-N
XLogP15.45
TPSA190.68 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.81
LogP ≤ 515.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine) with MolForge

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Related Compounds

p38 MAP Kinase Inhibitor V
CID 9884921
4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclohexylpyrimidin-2-amine
CID 44591677
4-(3-(4-chlorophenyl)-5-(1-(pyridin-4-ylmethyl)piperidin-4-yl)-1H-pyrazol-4-yl)pyrimidine
CID 46884730
[4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-[5-((S)-3-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amine
CID 49840240
[4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-[5-((R)-3-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amine
CID 49840305
4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 44591704
4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine
CID 9998475
4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
CID 10026288
N-[4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 10027150
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine
CID 10073674
N-[4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 10094968
4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
CID 10321765

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine)?
The IUPAC name of 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine) (CID 157345025) is 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine).
What is the SMILES notation for 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine)?
The canonical SMILES for 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine) is CC(C)NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.CC(C)NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.CN(C)CC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.
What is the InChIKey of 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine)?
The InChIKey is BGVWVLBMCGVGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H26ClN5/c2*1-14(2)26-18-9-5-16(6-10-18)22-20(19-11-12-24-13-25-19)21(27-28-22)15-3-7-17(23)8-4-15;1-28(2)13-15-3-5-16(6-4-15)21-20(19-11-12-24-14-25-19)22(27-26-21)17-7-9-18(23)10-8-17/h2*3-4,7-8,11-14,16,18,26H,5-6,9-10H2,1-2H3,(H,27,28);7-12,14-16H,3-6,13H2,1-2H3,(H,26,27).
What are the key properties of 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine)?
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine) has a molecular weight of 1187.81 g/mol, XLogP of 15.45, 15 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;bis(4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-propan-2-ylcyclohexan-1-amine) is sourced from PubChem (CID 157345025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).