N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide

C15H15N5O — CID 134363588

IUPACN-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
SMILESN#CN1CCC(NC(=O)c2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C15H15N5O/c16-11-19-8-6-12(10-19)17-15(21)14-7-9-20(18-14)13-4-2-1-3-5-13/h1-5,7,9,12H,6,8,10H2,(H,17,21)
InChIKeyMHWYVCFRZJGKKB-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.16
Rot. Bonds3

About N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide

N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide (PubChem CID 134363588) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
PubChem CID134363588
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
SMILESN#CN1CCC(NC(=O)c2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C15H15N5O/c16-11-19-8-6-12(10-19)17-15(21)14-7-9-20(18-14)13-4-2-1-3-5-13/h1-5,7,9,12H,6,8,10H2,(H,17,21)
InChIKeyMHWYVCFRZJGKKB-UHFFFAOYSA-N
XLogP1.16
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 51100168
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51078940
1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119429116
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide
CID 122590587
N-(1-cyanopyrrolidin-3-yl)-5-phenylpyrimidine-2-carboxamide
CID 122590469
(2S)-2-cyano-N-cyclopropyl-3-oxo-3-(1-phenylpyrazol-3-yl)propanamide
CID 98305936
N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 122590866
(1-cyanopyrrolidin-3-yl)carbamic acid
CID 91325257
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 165414446
N-(1-cyanopyrrolidin-3-yl)-4-[methyl(2-methylpropanoyl)amino]pyridine-2-carboxamide
CID 134363605

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide (CID 134363588) is N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide is N#CN1CCC(NC(=O)c2ccn(-c3ccccc3)n2)C1.
What is the InChIKey of N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is MHWYVCFRZJGKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-11-19-8-6-12(10-19)17-15(21)14-7-9-20(18-14)13-4-2-1-3-5-13/h1-5,7,9,12H,6,8,10H2,(H,17,21).
What are the key properties of N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide?
N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 134363588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).