3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide

C15H17N3O2 — CID 97428025

IUPAC3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cnn([C@@H]3CCOC3)c2)c1
InChIInChI=1S/C15H17N3O2/c1-11-3-2-4-12(7-11)15(19)17-13-8-16-18(9-13)14-5-6-20-10-14/h2-4,7-9,14H,5-6,10H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyRVTWYZCJGWQQOG-CQSZACIVSA-N
MW271.32 g/mol
LogP2.41
Rot. Bonds3

About 3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide

3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide (PubChem CID 97428025) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
PubChem CID97428025
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cnn([C@@H]3CCOC3)c2)c1
InChIInChI=1S/C15H17N3O2/c1-11-3-2-4-12(7-11)15(19)17-13-8-16-18(9-13)14-5-6-20-10-14/h2-4,7-9,14H,5-6,10H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyRVTWYZCJGWQQOG-CQSZACIVSA-N
XLogP2.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide
CID 97427952
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427968
6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427967
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
CID 97428073
2-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]pyridine-3-carboxamide
CID 97428006
2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428040
2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 97428084
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
2-ethylsulfanyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428080
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide (CID 97428025) is 3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide is Cc1cccc(C(=O)Nc2cnn([C@@H]3CCOC3)c2)c1.
What is the InChIKey of 3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide?
The InChIKey is RVTWYZCJGWQQOG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-3-2-4-12(7-11)15(19)17-13-8-16-18(9-13)14-5-6-20-10-14/h2-4,7-9,14H,5-6,10H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide?
3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 97428025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).