3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide

C22H27N5O — CID 127271659

IUPAC3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)c3cn(C)nc3C3CCCCC3)c2)n1
InChIInChI=1S/C22H27N5O/c1-15-12-16(2)27(24-15)19-11-7-10-18(13-19)23-22(28)20-14-26(3)25-21(20)17-8-5-4-6-9-17/h7,10-14,17H,4-6,8-9H2,1-3H3,(H,23,28)
InChIKeyITUBHIHWBIYWNH-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.52
Rot. Bonds4

About 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide

3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 127271659) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID127271659
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)c3cn(C)nc3C3CCCCC3)c2)n1
InChIInChI=1S/C22H27N5O/c1-15-12-16(2)27(24-15)19-11-7-10-18(13-19)23-22(28)20-14-26(3)25-21(20)17-8-5-4-6-9-17/h7,10-14,17H,4-6,8-9H2,1-3H3,(H,23,28)
InChIKeyITUBHIHWBIYWNH-UHFFFAOYSA-N
XLogP4.52
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide (CID 127271659) is 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide is Cc1cc(C)n(-c2cccc(NC(=O)c3cn(C)nc3C3CCCCC3)c2)n1.
What is the InChIKey of 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ITUBHIHWBIYWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15-12-16(2)27(24-15)19-11-7-10-18(13-19)23-22(28)20-14-26(3)25-21(20)17-8-5-4-6-9-17/h7,10-14,17H,4-6,8-9H2,1-3H3,(H,23,28).
What are the key properties of 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide?
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 127271659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).