1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide

C24H31N5O — CID 55969112

IUPAC1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3cc(C)n(C4CCCCC4)c3C)cn2)n1
InChIInChI=1S/C24H31N5O/c1-16-12-18(3)29(27-16)23-11-10-20(14-25-23)15-26-24(30)22-13-17(2)28(19(22)4)21-8-6-5-7-9-21/h10-14,21H,5-9,15H2,1-4H3,(H,26,30)
InChIKeyGDMLDLUQWVBLOB-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.74
Rot. Bonds5

About 1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide

1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55969112) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55969112
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3cc(C)n(C4CCCCC4)c3C)cn2)n1
InChIInChI=1S/C24H31N5O/c1-16-12-18(3)29(27-16)23-11-10-20(14-25-23)15-26-24(30)22-13-17(2)28(19(22)4)21-8-6-5-7-9-21/h10-14,21H,5-9,15H2,1-4H3,(H,26,30)
InChIKeyGDMLDLUQWVBLOB-UHFFFAOYSA-N
XLogP4.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide with MolForge

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Related Compounds

1-cyclohexyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55962247
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 126767913
2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide
CID 55801093
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
1-cyclohexyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 110957131
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848561
3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120549365
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896107
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444240
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890715

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide (CID 55969112) is 1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C)n(-c2ccc(CNC(=O)c3cc(C)n(C4CCCCC4)c3C)cn2)n1.
What is the InChIKey of 1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is GDMLDLUQWVBLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-16-12-18(3)29(27-16)23-11-10-20(14-25-23)15-26-24(30)22-13-17(2)28(19(22)4)21-8-6-5-7-9-21/h10-14,21H,5-9,15H2,1-4H3,(H,26,30).
What are the key properties of 1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide?
1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55969112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).