2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide

C13H19N3O2 — CID 167905190

IUPAC2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
SMILESO=C(CC1CC1)Nc1cc(C2CCCOC2)[nH]n1
InChIInChI=1S/C13H19N3O2/c17-13(6-9-3-4-9)14-12-7-11(15-16-12)10-2-1-5-18-8-10/h7,9-10H,1-6,8H2,(H2,14,15,16,17)
InChIKeyNLYGUKALLILXDB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.04
Rot. Bonds4

About 2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide

2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 167905190) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID167905190
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
SMILESO=C(CC1CC1)Nc1cc(C2CCCOC2)[nH]n1
InChIInChI=1S/C13H19N3O2/c17-13(6-9-3-4-9)14-12-7-11(15-16-12)10-2-1-5-18-8-10/h7,9-10H,1-6,8H2,(H2,14,15,16,17)
InChIKeyNLYGUKALLILXDB-UHFFFAOYSA-N
XLogP2.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 136538736
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
CID 136543616
2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 166220350
1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 167928323
5-(oxan-3-yl)-1H-pyrazole-3-carbaldehyde
CID 115092480
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 138017040
5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide
CID 166268582
N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide
CID 119794227
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
N-(5-methyl-1H-pyrazol-3-yl)-2-(oxetan-3-yl)acetamide
CID 112524720
2-(4-methylcyclohexyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 136526156
2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 103710671

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide (CID 167905190) is 2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide is O=C(CC1CC1)Nc1cc(C2CCCOC2)[nH]n1.
What is the InChIKey of 2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is NLYGUKALLILXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(6-9-3-4-9)14-12-7-11(15-16-12)10-2-1-5-18-8-10/h7,9-10H,1-6,8H2,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide?
2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 167905190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).