N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide

C20H19N3O — CID 38270812

IUPACN-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
SMILESO=C(c1ccc(-n2cccn2)cc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C20H19N3O/c24-20(17-7-9-19(10-8-17)23-14-4-13-21-23)22(18-11-12-18)15-16-5-2-1-3-6-16/h1-10,13-14,18H,11-12,15H2
InChIKeyWGAMCWOTECZGHE-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.68
Rot. Bonds5

About N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide

N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide (PubChem CID 38270812) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
PubChem CID38270812
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
SMILESO=C(c1ccc(-n2cccn2)cc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C20H19N3O/c24-20(17-7-9-19(10-8-17)23-14-4-13-21-23)22(18-11-12-18)15-16-5-2-1-3-6-16/h1-10,13-14,18H,11-12,15H2
InChIKeyWGAMCWOTECZGHE-UHFFFAOYSA-N
XLogP3.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 78811414
3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 60840230
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604
N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
CID 102850934
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide
CID 810218
N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrazol-1-ylbenzamide
CID 78798903
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314
N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 26326345
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-4-pyrazol-1-ylbenzamide
CID 26276882
N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 68723933
N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55592536

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide (CID 38270812) is N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide is O=C(c1ccc(-n2cccn2)cc1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide?
The InChIKey is WGAMCWOTECZGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(17-7-9-19(10-8-17)23-14-4-13-21-23)22(18-11-12-18)15-16-5-2-1-3-6-16/h1-10,13-14,18H,11-12,15H2.
What are the key properties of N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide?
N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide has a molecular weight of 317.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 38270812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).