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

C15H15N5O — CID 122590866

IUPACN-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESN#CN1CCC(NC(=O)c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C15H15N5O/c16-10-20-7-6-12(9-20)17-15(21)14-8-13(18-19-14)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9H2,(H,17,21)(H,18,19)
InChIKeyLRPGDSFOXNRMJC-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.36
Rot. Bonds3

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

N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 122590866) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID122590866
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESN#CN1CCC(NC(=O)c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C15H15N5O/c16-10-20-7-6-12(9-20)17-15(21)14-8-13(18-19-14)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9H2,(H,17,21)(H,18,19)
InChIKeyLRPGDSFOXNRMJC-UHFFFAOYSA-N
XLogP1.36
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 122590667
N-(1-cyanopyrrolidin-3-yl)-5-phenylpyrimidine-2-carboxamide
CID 122590469
3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 74237167
3-chloro-N-(1-cyanopyrrolidin-3-yl)-4-phenylbenzamide
CID 175084708
3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 121142755
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide
CID 122590587
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
3-(4-bromophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166179780
N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 134363588
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 98783386
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 90633193
2-(3-cyanophenyl)-N-(1-cyanopyrrolidin-3-yl)pyridine-4-carboxamide
CID 155229705

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 122590866) is N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide is N#CN1CCC(NC(=O)c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is LRPGDSFOXNRMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-10-20-7-6-12(9-20)17-15(21)14-8-13(18-19-14)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9H2,(H,17,21)(H,18,19).
What are the key properties of N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122590866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).