1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea

C13H17ClN4OS — CID 94101959

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@@H](Cn1cccn1)NC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN4OS/c1-10(9-18-8-2-6-16-18)17-13(19)15-7-5-11-3-4-12(14)20-11/h2-4,6,8,10H,5,7,9H2,1H3,(H2,15,17,19)/t10-/m0/s1
InChIKeyLJWBZOUGWZAPHW-JTQLQIEISA-N
MW312.83 g/mol
LogP2.53
Rot. Bonds6

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 94101959) has the molecular formula C13H17ClN4OS and a molecular weight of 312.83 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID94101959
Molecular FormulaC13H17ClN4OS
Molecular Weight312.83 g/mol
Exact Mass312.08
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@@H](Cn1cccn1)NC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN4OS/c1-10(9-18-8-2-6-16-18)17-13(19)15-7-5-11-3-4-12(14)20-11/h2-4,6,8,10H,5,7,9H2,1H3,(H2,15,17,19)/t10-/m0/s1
InChIKeyLJWBZOUGWZAPHW-JTQLQIEISA-N
XLogP2.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-Cyanobutyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 3860221
N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435004
1-[2-(Dimethylamino)-2-thiophen-2-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 45821374
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-3-ylethyl)urea
CID 45828490
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 45831191
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 45831685
1-[(5-Chlorothiophen-2-yl)methyl]-1-methyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45831713
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45831716
1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 45831812
1-[(5-Chlorothiophen-2-yl)methyl]-1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 45865241
5-chloro-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 45887138
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47220677

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea (CID 94101959) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea is C[C@@H](Cn1cccn1)NC(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is LJWBZOUGWZAPHW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17ClN4OS/c1-10(9-18-8-2-6-16-18)17-13(19)15-7-5-11-3-4-12(14)20-11/h2-4,6,8,10H,5,7,9H2,1H3,(H2,15,17,19)/t10-/m0/s1.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 312.83 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94101959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).