N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide

C15H16ClN3O2 — CID 95614424

IUPACN-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C15H16ClN3O2/c16-13-5-1-2-6-14(13)19-10-11(9-17-19)18-15(20)8-12-4-3-7-21-12/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,18,20)/t12-/m0/s1
InChIKeyKMGCOBZJJABGEC-LBPRGKRZSA-N
MW305.76 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide

N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 95614424) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID95614424
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C15H16ClN3O2/c16-13-5-1-2-6-14(13)19-10-11(9-17-19)18-15(20)8-12-4-3-7-21-12/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,18,20)/t12-/m0/s1
InChIKeyKMGCOBZJJABGEC-LBPRGKRZSA-N
XLogP3.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
(2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide
CID 146122044
N-(2,6-dipyrrolidin-1-ylphenyl)-2-(oxolan-2-yl)acetamide
CID 56786552
N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 95620224
3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859281
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide
CID 122159392
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 56782243

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide (CID 95614424) is N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide is O=C(C[C@@H]1CCCO1)Nc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is KMGCOBZJJABGEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-13-5-1-2-6-14(13)19-10-11(9-17-19)18-15(20)8-12-4-3-7-21-12/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide?
N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 305.76 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 95614424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).