N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C28H26ClN5O2 — CID 55906395

IUPACN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1Cl
InChIInChI=1S/C28H26ClN5O2/c29-25-14-13-21(16-23(25)27(35)31-20-9-3-1-4-10-20)32-28(36)24-18-34(22-11-5-2-6-12-22)33-26(24)19-8-7-15-30-17-19/h2,5-8,11-18,20H,1,3-4,9-10H2,(H,31,35)(H,32,36)
InChIKeyCQNDFXZPILQARQ-UHFFFAOYSA-N
MW500.00 g/mol
LogP5.90
Rot. Bonds6

About N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 55906395) has the molecular formula C28H26ClN5O2 and a molecular weight of 500.00 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID55906395
Molecular FormulaC28H26ClN5O2
Molecular Weight500.00 g/mol
Exact Mass499.18
IUPAC NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1Cl
InChIInChI=1S/C28H26ClN5O2/c29-25-14-13-21(16-23(25)27(35)31-20-9-3-1-4-10-20)32-28(36)24-18-34(22-11-5-2-6-12-22)33-26(24)19-8-7-15-30-17-19/h2,5-8,11-18,20H,1,3-4,9-10H2,(H,31,35)(H,32,36)
InChIKeyCQNDFXZPILQARQ-UHFFFAOYSA-N
XLogP5.90
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.00
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
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N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
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N-(2-oxoazepan-3-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
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1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
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N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 42014114
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 55906395) is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(NC1CCCCC1)c1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is CQNDFXZPILQARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O2/c29-25-14-13-21(16-23(25)27(35)31-20-9-3-1-4-10-20)32-28(36)24-18-34(22-11-5-2-6-12-22)33-26(24)19-8-7-15-30-17-19/h2,5-8,11-18,20H,1,3-4,9-10H2,(H,31,35)(H,32,36).
What are the key properties of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 500.00 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55906395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).