1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide

C13H18N4O — CID 60678365

IUPAC1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H18N4O/c1-10(2)17-11(5-8-15-17)16-12(18)13(9-14)6-3-4-7-13/h5,8,10H,3-4,6-7H2,1-2H3,(H,16,18)
InChIKeyNQHZMPYPAINPGT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.49
Rot. Bonds3

About 1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide

1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 60678365) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
PubChem CID60678365
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H18N4O/c1-10(2)17-11(5-8-15-17)16-12(18)13(9-14)6-3-4-7-13/h5,8,10H,3-4,6-7H2,1-2H3,(H,16,18)
InChIKeyNQHZMPYPAINPGT-UHFFFAOYSA-N
XLogP2.49
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide (CID 60678365) is 1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide is CC(C)n1nccc1NC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is NQHZMPYPAINPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(2)17-11(5-8-15-17)16-12(18)13(9-14)6-3-4-7-13/h5,8,10H,3-4,6-7H2,1-2H3,(H,16,18).
What are the key properties of 1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide?
1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60678365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).