N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide

C11H17N3O2 — CID 118690580

IUPACN-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide
SMILESCN(C(=O)c1cc(=O)[nH]n1C)C1CCCC1
InChIInChI=1S/C11H17N3O2/c1-13(8-5-3-4-6-8)11(16)9-7-10(15)12-14(9)2/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyXMRZZJNOFZHXIL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.73
Rot. Bonds2

About N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide

N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide (PubChem CID 118690580) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide
PubChem CID118690580
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide
SMILESCN(C(=O)c1cc(=O)[nH]n1C)C1CCCC1
InChIInChI=1S/C11H17N3O2/c1-13(8-5-3-4-6-8)11(16)9-7-10(15)12-14(9)2/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyXMRZZJNOFZHXIL-UHFFFAOYSA-N
XLogP0.73
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide (CID 118690580) is N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide is CN(C(=O)c1cc(=O)[nH]n1C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide?
The InChIKey is XMRZZJNOFZHXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13(8-5-3-4-6-8)11(16)9-7-10(15)12-14(9)2/h7-8H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide?
N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118690580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).