(3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide

C16H19ClN4O2 — CID 95325065

IUPAC(3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
SMILESCCc1cc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H19ClN4O2/c1-3-13-8-15(21-20-13)19-16(23)9-14(18-10(2)22)11-4-6-12(17)7-5-11/h4-8,14H,3,9H2,1-2H3,(H,18,22)(H2,19,20,21,23)/t14-/m1/s1
InChIKeyITOIPAPYQYZLJZ-CQSZACIVSA-N
MW334.81 g/mol
LogP2.83
Rot. Bonds6

About (3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide

(3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide (PubChem CID 95325065) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
PubChem CID95325065
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
SMILESCCc1cc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H19ClN4O2/c1-3-13-8-15(21-20-13)19-16(23)9-14(18-10(2)22)11-4-6-12(17)7-5-11/h4-8,14H,3,9H2,1-2H3,(H,18,22)(H2,19,20,21,23)/t14-/m1/s1
InChIKeyITOIPAPYQYZLJZ-CQSZACIVSA-N
XLogP2.83
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 115609317
3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 115776629
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 47423250
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
CID 114875544
2-[3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230485
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide (CID 95325065) is (3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for (3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide is CCc1cc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is ITOIPAPYQYZLJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-3-13-8-15(21-20-13)19-16(23)9-14(18-10(2)22)11-4-6-12(17)7-5-11/h4-8,14H,3,9H2,1-2H3,(H,18,22)(H2,19,20,21,23)/t14-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 334.81 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 95325065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).