2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide

C14H14ClN3O2 — CID 71810085

IUPAC2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3O2/c15-13-4-2-1-3-12(13)14(19)17-10-7-16-18(8-10)11-5-6-20-9-11/h1-4,7-8,11H,5-6,9H2,(H,17,19)
InChIKeyVRSUGZKIRWOIIR-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.75
Rot. Bonds3

About 2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide

2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide (PubChem CID 71810085) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
PubChem CID71810085
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3O2/c15-13-4-2-1-3-12(13)14(19)17-10-7-16-18(8-10)11-5-6-20-9-11/h1-4,7-8,11H,5-6,9H2,(H,17,19)
InChIKeyVRSUGZKIRWOIIR-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428040
2-ethylsulfanyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428080
2-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]pyridine-3-carboxamide
CID 97428006
5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810129
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
CID 97428073
3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 97428103
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide
CID 97427952
3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428025

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide (CID 71810085) is 2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(C2CCOC2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide?
The InChIKey is VRSUGZKIRWOIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-13-4-2-1-3-12(13)14(19)17-10-7-16-18(8-10)11-5-6-20-9-11/h1-4,7-8,11H,5-6,9H2,(H,17,19).
What are the key properties of 2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide?
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide has a molecular weight of 291.74 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 71810085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).