2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C17H21ClN4O2 — CID 99835166

IUPAC2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C17H21ClN4O2/c1-11-9-15(22(2)21-11)20-16(23)10-19-14-7-8-24-17(14)12-3-5-13(18)6-4-12/h3-6,9,14,17,19H,7-8,10H2,1-2H3,(H,20,23)/t14-,17+/m0/s1
InChIKeySBNZSNAHFINNAH-WMLDXEAASA-N
MW348.83 g/mol
LogP2.44
Rot. Bonds5

About 2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 99835166) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID99835166
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C17H21ClN4O2/c1-11-9-15(22(2)21-11)20-16(23)10-19-14-7-8-24-17(14)12-3-5-13(18)6-4-12/h3-6,9,14,17,19H,7-8,10H2,1-2H3,(H,20,23)/t14-,17+/m0/s1
InChIKeySBNZSNAHFINNAH-WMLDXEAASA-N
XLogP2.44
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 100660010
2-[[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 129432128
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97128270
2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36803387
N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82726082
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 84595697
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 41161348
2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 167935972

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 99835166) is 2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is SBNZSNAHFINNAH-WMLDXEAASA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-11-9-15(22(2)21-11)20-16(23)10-19-14-7-8-24-17(14)12-3-5-13(18)6-4-12/h3-6,9,14,17,19H,7-8,10H2,1-2H3,(H,20,23)/t14-,17+/m0/s1.
What are the key properties of 2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 348.83 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 99835166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).