4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine

C27H27ClFN5 — CID 10073674

IUPAC4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine
SMILESC[C@@H](NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H27ClFN5/c1-17(18-4-10-22(29)11-5-18)32-23-12-6-20(7-13-23)27-25(24-14-15-30-16-31-24)26(33-34-27)19-2-8-21(28)9-3-19/h2-5,8-11,14-17,20,23,32H,6-7,12-13H2,1H3,(H,33,34)/t17-,20?,23?/m1/s1
InChIKeyTWMLTGKUUSXQTM-WMAFBANVSA-N
MW476.00 g/mol
LogP6.70
Rot. Bonds6

About 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine

4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine (PubChem CID 10073674) has the molecular formula C27H27ClFN5 and a molecular weight of 476.00 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine
PubChem CID10073674
Molecular FormulaC27H27ClFN5
Molecular Weight476.00 g/mol
Exact Mass475.19
IUPAC Name4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine
SMILESC[C@@H](NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H27ClFN5/c1-17(18-4-10-22(29)11-5-18)32-23-12-6-20(7-13-23)27-25(24-14-15-30-16-31-24)26(33-34-27)19-2-8-21(28)9-3-19/h2-5,8-11,14-17,20,23,32H,6-7,12-13H2,1H3,(H,33,34)/t17-,20?,23?/m1/s1
InChIKeyTWMLTGKUUSXQTM-WMAFBANVSA-N
XLogP6.70
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.00
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine (CID 10073674) is 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine is C[C@@H](NC1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is TWMLTGKUUSXQTM-WMAFBANVSA-N. The full InChI is InChI=1S/C27H27ClFN5/c1-17(18-4-10-22(29)11-5-18)32-23-12-6-20(7-13-23)27-25(24-14-15-30-16-31-24)26(33-34-27)19-2-8-21(28)9-3-19/h2-5,8-11,14-17,20,23,32H,6-7,12-13H2,1H3,(H,33,34)/t17-,20?,23?/m1/s1.
What are the key properties of 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine?
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine has a molecular weight of 476.00 g/mol, XLogP of 6.70, 6 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-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 10073674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).