N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

C12H19N3O — CID 47245095

IUPACN-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCC2)n[nH]1
InChIInChI=1S/C12H19N3O/c1-8(2)10-7-11(15-14-10)12(16)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyNKQMKZZZYCKQRF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.21
Rot. Bonds3

About N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 47245095) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID47245095
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCC2)n[nH]1
InChIInChI=1S/C12H19N3O/c1-8(2)10-7-11(15-14-10)12(16)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyNKQMKZZZYCKQRF-UHFFFAOYSA-N
XLogP2.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 47245095) is N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NC2CCCC2)n[nH]1.
What is the InChIKey of N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is NKQMKZZZYCKQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)10-7-11(15-14-10)12(16)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47245095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).