N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

C14H14N6O — CID 122590667

IUPACN-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESN#CN1CCC(NC(=O)c2cc(-c3cccnc3)n[nH]2)C1
InChIInChI=1S/C14H14N6O/c15-9-20-5-3-11(8-20)17-14(21)13-6-12(18-19-13)10-2-1-4-16-7-10/h1-2,4,6-7,11H,3,5,8H2,(H,17,21)(H,18,19)
InChIKeyHCGZNXDPBZKYNW-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.76
Rot. Bonds3

About N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 122590667) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID122590667
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESN#CN1CCC(NC(=O)c2cc(-c3cccnc3)n[nH]2)C1
InChIInChI=1S/C14H14N6O/c15-9-20-5-3-11(8-20)17-14(21)13-6-12(18-19-13)10-2-1-4-16-7-10/h1-2,4,6-7,11H,3,5,8H2,(H,17,21)(H,18,19)
InChIKeyHCGZNXDPBZKYNW-UHFFFAOYSA-N
XLogP0.76
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
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-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 122590866
N-(1-cyanopyrrolidin-3-yl)-5-phenylpyrimidine-2-carboxamide
CID 122590469
(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069495
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide
CID 122590587
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
2-(3-cyanophenyl)-N-(1-cyanopyrrolidin-3-yl)pyridine-4-carboxamide
CID 155229705
N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295575
4-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]benzonitrile
CID 53087822
N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 168909159
3-(4-bromophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166179780
3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 121142755
3-chloro-N-(1-cyanopyrrolidin-3-yl)-4-phenylbenzamide
CID 175084708

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 122590667) is N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is N#CN1CCC(NC(=O)c2cc(-c3cccnc3)n[nH]2)C1.
What is the InChIKey of N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is HCGZNXDPBZKYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-9-20-5-3-11(8-20)17-14(21)13-6-12(18-19-13)10-2-1-4-16-7-10/h1-2,4,6-7,11H,3,5,8H2,(H,17,21)(H,18,19).
What are the key properties of N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122590667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).