N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C14H14N6O — CID 134363598

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cc(-c3ccccn3)n[nH]2)C1
InChIInChI=1S/C14H14N6O/c15-9-20-6-4-10(8-20)17-14(21)13-7-12(18-19-13)11-3-1-2-5-16-11/h1-3,5,7,10H,4,6,8H2,(H,17,21)(H,18,19)/t10-/m1/s1
InChIKeyJOAIHMFYBJKALC-SNVBAGLBSA-N
MW282.31 g/mol
LogP0.76
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 134363598) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID134363598
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cc(-c3ccccn3)n[nH]2)C1
InChIInChI=1S/C14H14N6O/c15-9-20-6-4-10(8-20)17-14(21)13-7-12(18-19-13)11-3-1-2-5-16-11/h1-3,5,7,10H,4,6,8H2,(H,17,21)(H,18,19)/t10-/m1/s1
InChIKeyJOAIHMFYBJKALC-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 134363598) is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is N#CN1CC[C@@H](NC(=O)c2cc(-c3ccccn3)n[nH]2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is JOAIHMFYBJKALC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N6O/c15-9-20-6-4-10(8-20)17-14(21)13-7-12(18-19-13)11-3-1-2-5-16-11/h1-3,5,7,10H,4,6,8H2,(H,17,21)(H,18,19)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-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-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 134363598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).