4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide

C22H29ClN6O2 — CID 26327836

IUPAC4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H29ClN6O2/c23-18-8-4-5-9-19(18)26-21(30)27-20-10-13-24-29(20)17-11-14-28(15-12-17)22(31)25-16-6-2-1-3-7-16/h4-5,8-10,13,16-17H,1-3,6-7,11-12,14-15H2,(H,25,31)(H2,26,27,30)
InChIKeyHXHSMVBEBRPVFA-UHFFFAOYSA-N
MW444.97 g/mol
LogP4.86
Rot. Bonds4

About 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide

4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 26327836) has the molecular formula C22H29ClN6O2 and a molecular weight of 444.97 g/mol. Its IUPAC name is 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide
PubChem CID26327836
Molecular FormulaC22H29ClN6O2
Molecular Weight444.97 g/mol
Exact Mass444.20
IUPAC Name4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H29ClN6O2/c23-18-8-4-5-9-19(18)26-21(30)27-20-10-13-24-29(20)17-11-14-28(15-12-17)22(31)25-16-6-2-1-3-7-16/h4-5,8-10,13,16-17H,1-3,6-7,11-12,14-15H2,(H,25,31)(H2,26,27,30)
InChIKeyHXHSMVBEBRPVFA-UHFFFAOYSA-N
XLogP4.86
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.97
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-chlorophenyl)-3-[2-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]urea
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CID 56756469
2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide (CID 26327836) is 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide is O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is HXHSMVBEBRPVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN6O2/c23-18-8-4-5-9-19(18)26-21(30)27-20-10-13-24-29(20)17-11-14-28(15-12-17)22(31)25-16-6-2-1-3-7-16/h4-5,8-10,13,16-17H,1-3,6-7,11-12,14-15H2,(H,25,31)(H2,26,27,30).
What are the key properties of 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide?
4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 444.97 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 26327836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).