(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide

C12H14ClN3OS — CID 94199388

IUPAC(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)NCCc1ccc(Cl)s1)n1cccn1
InChIInChI=1S/C12H14ClN3OS/c1-9(16-8-2-6-15-16)12(17)14-7-5-10-3-4-11(13)18-10/h2-4,6,8-9H,5,7H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeyYYDRSHARCYGFJJ-VIFPVBQESA-N
MW283.78 g/mol
LogP2.52
Rot. Bonds5

About (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide

(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 94199388) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID94199388
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)NCCc1ccc(Cl)s1)n1cccn1
InChIInChI=1S/C12H14ClN3OS/c1-9(16-8-2-6-15-16)12(17)14-7-5-10-3-4-11(13)18-10/h2-4,6,8-9H,5,7H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeyYYDRSHARCYGFJJ-VIFPVBQESA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101959
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 134048451
(2S)-N-[4-(5-chlorothiophen-2-yl)butyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 100642909
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
CID 86996141
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 103809470
(2R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 126436910
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
N-[2-(4-chlorophenyl)sulfanylethyl]-2-pyrazol-1-ylpropanamide
CID 134048678

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide (CID 94199388) is (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide is C[C@@H](C(=O)NCCc1ccc(Cl)s1)n1cccn1.
What is the InChIKey of (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is YYDRSHARCYGFJJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-9(16-8-2-6-15-16)12(17)14-7-5-10-3-4-11(13)18-10/h2-4,6,8-9H,5,7H2,1H3,(H,14,17)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 283.78 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 94199388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).