5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide

C21H30N4O — CID 46546093

IUPAC5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cnn(-c3ccccn3)c2C)CC1
InChIInChI=1S/C21H30N4O/c1-5-21(3,4)16-9-11-17(12-10-16)24-20(26)18-14-23-25(15(18)2)19-8-6-7-13-22-19/h6-8,13-14,16-17H,5,9-12H2,1-4H3,(H,24,26)
InChIKeyVNCIRKTZHAJZMI-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.30
Rot. Bonds5

About 5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide

5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 46546093) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID46546093
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cnn(-c3ccccn3)c2C)CC1
InChIInChI=1S/C21H30N4O/c1-5-21(3,4)16-9-11-17(12-10-16)24-20(26)18-14-23-25(15(18)2)19-8-6-7-13-22-19/h6-8,13-14,16-17H,5,9-12H2,1-4H3,(H,24,26)
InChIKeyVNCIRKTZHAJZMI-UHFFFAOYSA-N
XLogP4.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 156586340
4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide
CID 81229203
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 146129208
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-4-carboxamide
CID 66482736
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111484404
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 131927717
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 46546093) is 5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide is CCC(C)(C)C1CCC(NC(=O)c2cnn(-c3ccccn3)c2C)CC1.
What is the InChIKey of 5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is VNCIRKTZHAJZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-21(3,4)16-9-11-17(12-10-16)24-20(26)18-14-23-25(15(18)2)19-8-6-7-13-22-19/h6-8,13-14,16-17H,5,9-12H2,1-4H3,(H,24,26).
What are the key properties of 5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46546093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).