N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide

C15H15N5O — CID 63928491

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H15N5O/c1-20(10-14-16-7-8-17-14)15(21)13-9-12(18-19-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyXRVCXAAZSSCSGX-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.07
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 63928491) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID63928491
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H15N5O/c1-20(10-14-16-7-8-17-14)15(21)13-9-12(18-19-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyXRVCXAAZSSCSGX-UHFFFAOYSA-N
XLogP2.07
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 166183764
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166327972
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 39459167
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
N-methyl-3-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50984748
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
CID 63939472
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
N-(1H-imidazol-2-ylmethyl)-N-methylquinoline-2-carboxamide
CID 63930575

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 63928491) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is XRVCXAAZSSCSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20(10-14-16-7-8-17-14)15(21)13-9-12(18-19-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63928491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).