N-benzyl-2-cyclopropylpyrazole-3-carboxamide

C14H15N3O — CID 83406815

IUPACN-benzyl-2-cyclopropylpyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnn1C1CC1
InChIInChI=1S/C14H15N3O/c18-14(15-10-11-4-2-1-3-5-11)13-8-9-16-17(13)12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,15,18)
InChIKeyWONLHJOOFFJVJF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.15
Rot. Bonds4

About N-benzyl-2-cyclopropylpyrazole-3-carboxamide

N-benzyl-2-cyclopropylpyrazole-3-carboxamide (PubChem CID 83406815) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-benzyl-2-cyclopropylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-cyclopropylpyrazole-3-carboxamide
PubChem CID83406815
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-benzyl-2-cyclopropylpyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnn1C1CC1
InChIInChI=1S/C14H15N3O/c18-14(15-10-11-4-2-1-3-5-11)13-8-9-16-17(13)12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,15,18)
InChIKeyWONLHJOOFFJVJF-UHFFFAOYSA-N
XLogP2.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid
CID 120535538
8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid
CID 120535691
(4-chlorophenyl)methyl N-[4-[[[2-(oxan-4-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
CID 171824487
N-benzyl-1-cyclopropylpyrazole-3-carboxamide
CID 155012818
2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide
CID 136532884
1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530593
4-bromo-1-cyclopropyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43641323
2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 167838088
1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826
3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]benzoic acid
CID 60894251
N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541513

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopropylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-2-cyclopropylpyrazole-3-carboxamide (CID 83406815) is N-benzyl-2-cyclopropylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-2-cyclopropylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-2-cyclopropylpyrazole-3-carboxamide is O=C(NCc1ccccc1)c1ccnn1C1CC1.
What is the InChIKey of N-benzyl-2-cyclopropylpyrazole-3-carboxamide?
The InChIKey is WONLHJOOFFJVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(15-10-11-4-2-1-3-5-11)13-8-9-16-17(13)12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,15,18).
What are the key properties of N-benzyl-2-cyclopropylpyrazole-3-carboxamide?
N-benzyl-2-cyclopropylpyrazole-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopropylpyrazole-3-carboxamide is sourced from PubChem (CID 83406815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).