(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide

C14H16ClN3O — CID 46226178

IUPAC(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide
SMILESCC(C)[C@H](C(=O)Nc1ccn[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-9(2)13(10-3-5-11(15)6-4-10)14(19)17-12-7-8-16-18-12/h3-9,13H,1-2H3,(H2,16,17,18,19)/t13-/m0/s1
InChIKeyPCTOXJXHEDVEMG-ZDUSSCGKSA-N
MW277.75 g/mol
LogP3.44
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide

(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide (PubChem CID 46226178) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide
PubChem CID46226178
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide
SMILESCC(C)[C@H](C(=O)Nc1ccn[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-9(2)13(10-3-5-11(15)6-4-10)14(19)17-12-7-8-16-18-12/h3-9,13H,1-2H3,(H2,16,17,18,19)/t13-/m0/s1
InChIKeyPCTOXJXHEDVEMG-ZDUSSCGKSA-N
XLogP3.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-(1H-pyrazol-5-yl)propanamide
CID 115596669
2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide
CID 46226160
2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
CID 46226142
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
CID 7958855
2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 115609317
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
2-acetamido-N-(1H-pyrazol-5-yl)propanamide
CID 61393558
(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 25438052
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 53257805
2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide
CID 43055354
(2S)-2-(4-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 8503003
2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide
CID 110464791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide (CID 46226178) is (2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide is CC(C)[C@H](C(=O)Nc1ccn[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide?
The InChIKey is PCTOXJXHEDVEMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9(2)13(10-3-5-11(15)6-4-10)14(19)17-12-7-8-16-18-12/h3-9,13H,1-2H3,(H2,16,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide?
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide has a molecular weight of 277.75 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide is sourced from PubChem (CID 46226178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).