N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide

C14H14ClN3O2 — CID 87007046

IUPACN-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)C1CCCO1
InChIInChI=1S/C14H14ClN3O2/c15-10-4-1-5-11(13(10)18-8-3-7-16-18)17-14(19)12-6-2-9-20-12/h1,3-5,7-8,12H,2,6,9H2,(H,17,19)
InChIKeyXFXSIZVXKWNZMF-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.64
Rot. Bonds3

About N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide

N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide (PubChem CID 87007046) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
PubChem CID87007046
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)C1CCCO1
InChIInChI=1S/C14H14ClN3O2/c15-10-4-1-5-11(13(10)18-8-3-7-16-18)17-14(19)12-6-2-9-20-12/h1,3-5,7-8,12H,2,6,9H2,(H,17,19)
InChIKeyXFXSIZVXKWNZMF-UHFFFAOYSA-N
XLogP2.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110896821
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
(3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 129402912
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024
N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide
CID 82896732
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide
CID 64893352
(2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide
CID 35274234
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51118900

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide (CID 87007046) is N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide is O=C(Nc1cccc(Cl)c1-n1cccn1)C1CCCO1.
What is the InChIKey of N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide?
The InChIKey is XFXSIZVXKWNZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-10-4-1-5-11(13(10)18-8-3-7-16-18)17-14(19)12-6-2-9-20-12/h1,3-5,7-8,12H,2,6,9H2,(H,17,19).
What are the key properties of N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide?
N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 87007046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).