N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide

C15H18N4O — CID 63006125

IUPACN-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)C1CCNC1
InChIInChI=1S/C15H18N4O/c20-15(13-6-7-16-8-13)18-14-9-17-19(11-14)10-12-4-2-1-3-5-12/h1-5,9,11,13,16H,6-8,10H2,(H,18,20)
InChIKeyXKYPBZIQLKVCOG-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.48
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide

N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 63006125) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID63006125
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)C1CCNC1
InChIInChI=1S/C15H18N4O/c20-15(13-6-7-16-8-13)18-14-9-17-19(11-14)10-12-4-2-1-3-5-12/h1-5,9,11,13,16H,6-8,10H2,(H,18,20)
InChIKeyXKYPBZIQLKVCOG-UHFFFAOYSA-N
XLogP1.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871178
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 126786611
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
(3S)-N-(1-benzylimidazol-4-yl)pyrrolidine-3-carboxamide
CID 118980745
5-amino-N-(1-benzylpyrazol-4-yl)pyrazolidine-3-carboxamide
CID 77042902
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
N-(1-benzylpyrazol-4-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55983153
3-[(1-benzylpyrazol-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 3439709
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 63006125) is N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)C1CCNC1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is XKYPBZIQLKVCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(13-6-7-16-8-13)18-14-9-17-19(11-14)10-12-4-2-1-3-5-12/h1-5,9,11,13,16H,6-8,10H2,(H,18,20).
What are the key properties of N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide?
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).