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

C16H15ClN4OS — CID 47040820

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea
SMILESCC(NC(=O)Nc1ccccc1-n1cccn1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN4OS/c1-11(14-7-8-15(17)23-14)19-16(22)20-12-5-2-3-6-13(12)21-10-4-9-18-21/h2-11H,1H3,(H2,19,20,22)
InChIKeyFNEKRERKHZWUEL-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.47
Rot. Bonds4

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

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 47040820) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea
PubChem CID47040820
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea
SMILESCC(NC(=O)Nc1ccccc1-n1cccn1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN4OS/c1-11(14-7-8-15(17)23-14)19-16(22)20-12-5-2-3-6-13(12)21-10-4-9-18-21/h2-11H,1H3,(H2,19,20,22)
InChIKeyFNEKRERKHZWUEL-UHFFFAOYSA-N
XLogP4.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040904
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17181664
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607
4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
CID 47040881
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea (CID 47040820) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea is CC(NC(=O)Nc1ccccc1-n1cccn1)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea?
The InChIKey is FNEKRERKHZWUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-11(14-7-8-15(17)23-14)19-16(22)20-12-5-2-3-6-13(12)21-10-4-9-18-21/h2-11H,1H3,(H2,19,20,22).
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea?
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 346.84 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 47040820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).