N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide

C18H19N5O — CID 42961998

IUPACN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCn1ccnc1CN(C(=O)c1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C18H19N5O/c1-21-10-9-19-17(21)13-22(15-7-8-15)18(24)14-11-20-23(12-14)16-5-3-2-4-6-16/h2-6,9-12,15H,7-8,13H2,1H3
InChIKeyYTIFKPLLCJRRSB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.41
Rot. Bonds5

About N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide

N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 42961998) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID42961998
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCn1ccnc1CN(C(=O)c1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C18H19N5O/c1-21-10-9-19-17(21)13-22(15-7-8-15)18(24)14-11-20-23(12-14)16-5-3-2-4-6-16/h2-6,9-12,15H,7-8,13H2,1H3
InChIKeyYTIFKPLLCJRRSB-UHFFFAOYSA-N
XLogP2.41
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide (CID 42961998) is N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide is Cn1ccnc1CN(C(=O)c1cnn(-c2ccccc2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is YTIFKPLLCJRRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-21-10-9-19-17(21)13-22(15-7-8-15)18(24)14-11-20-23(12-14)16-5-3-2-4-6-16/h2-6,9-12,15H,7-8,13H2,1H3.
What are the key properties of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide?
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 42961998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).