5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide

C19H21N5O — CID 166215609

IUPAC5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3cc(C4CC4)n(C)n3)cc2)c1C
InChIInChI=1S/C19H21N5O/c1-12-13(2)24(11-20-12)16-8-6-15(7-9-16)21-19(25)17-10-18(14-4-5-14)23(3)22-17/h6-11,14H,4-5H2,1-3H3,(H,21,25)
InChIKeyUZFHQIFDTPTJDO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.35
Rot. Bonds4

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

5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 166215609) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID166215609
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3cc(C4CC4)n(C)n3)cc2)c1C
InChIInChI=1S/C19H21N5O/c1-12-13(2)24(11-20-12)16-8-6-15(7-9-16)21-19(25)17-10-18(14-4-5-14)23(3)22-17/h6-11,14H,4-5H2,1-3H3,(H,21,25)
InChIKeyUZFHQIFDTPTJDO-UHFFFAOYSA-N
XLogP3.35
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
CID 166327019
6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide
CID 166327030
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 166285375
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,5-dimethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166215437
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,2-thiazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166326962
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide
CID 166215873
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-ethoxypyrazine-2-carboxamide
CID 166215462

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide (CID 166215609) is 5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide is Cc1ncn(-c2ccc(NC(=O)c3cc(C4CC4)n(C)n3)cc2)c1C.
What is the InChIKey of 5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is UZFHQIFDTPTJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-13(2)24(11-20-12)16-8-6-15(7-9-16)21-19(25)17-10-18(14-4-5-14)23(3)22-17/h6-11,14H,4-5H2,1-3H3,(H,21,25).
What are the key properties of 5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide?
5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166215609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).