N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide

C15H18ClN3O — CID 94200772

IUPACN-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N[C@@H](C)Cc2ccccc2Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-11-8-17-19(9-11)10-15(20)18-12(2)7-13-5-3-4-6-14(13)16/h3-6,8-9,12H,7,10H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyCYZWSSAZVBFJII-LBPRGKRZSA-N
MW291.78 g/mol
LogP2.59
Rot. Bonds5

About N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide

N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 94200772) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID94200772
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N[C@@H](C)Cc2ccccc2Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-11-8-17-19(9-11)10-15(20)18-12(2)7-13-5-3-4-6-14(13)16/h3-6,8-9,12H,7,10H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyCYZWSSAZVBFJII-LBPRGKRZSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 166241134
N-[(2R)-1-(2-chlorophenyl)propan-2-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 51949765
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 94200377
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide
CID 81075633
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
CID 110675422
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
N-[(2-chlorophenyl)methyl]-3-[[(2R,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]propanamide
CID 95340689

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide (CID 94200772) is N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)N[C@@H](C)Cc2ccccc2Cl)c1.
What is the InChIKey of N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is CYZWSSAZVBFJII-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-8-17-19(9-11)10-15(20)18-12(2)7-13-5-3-4-6-14(13)16/h3-6,8-9,12H,7,10H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 291.78 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 94200772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).