N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C16H21N3O — CID 47234524

IUPACN-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCC3CCC3)cc2)CC1
InChIInChI=1S/C16H21N3O/c1-12-9-10-19(18-12)15-7-5-14(6-8-15)16(20)17-11-13-3-2-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyLIPXGJZWLXXBEL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds4

About N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 47234524) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID47234524
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCC3CCC3)cc2)CC1
InChIInChI=1S/C16H21N3O/c1-12-9-10-19(18-12)15-7-5-14(6-8-15)16(20)17-11-13-3-2-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyLIPXGJZWLXXBEL-UHFFFAOYSA-N
XLogP2.80
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(2-methylsulfanylethyl)benzamide
CID 167958148
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111484572
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55699746
ethyl (2R)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]propanoate
CID 94779819
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111696799
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
CID 47054980
(2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid
CID 120695407
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 87040971
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
3-ethoxy-2,2-dimethyl-1-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 120700242
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 47234524) is N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is CC1=NN(c2ccc(C(=O)NCC3CCC3)cc2)CC1.
What is the InChIKey of N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is LIPXGJZWLXXBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-9-10-19(18-12)15-7-5-14(6-8-15)16(20)17-11-13-3-2-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,20).
What are the key properties of N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 271.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 47234524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).