2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid

C12H14N4O3S — CID 61191363

IUPAC2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)NCCc2cccs2)cn1
InChIInChI=1S/C12H14N4O3S/c17-11(18)8-16-7-9(6-14-16)15-12(19)13-4-3-10-2-1-5-20-10/h1-2,5-7H,3-4,8H2,(H,17,18)(H2,13,15,19)
InChIKeySNDUHTXSPVPXIG-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.39
Rot. Bonds6

About 2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid

2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid (PubChem CID 61191363) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid
PubChem CID61191363
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)NCCc2cccs2)cn1
InChIInChI=1S/C12H14N4O3S/c17-11(18)8-16-7-9(6-14-16)15-12(19)13-4-3-10-2-1-5-20-10/h1-2,5-7H,3-4,8H2,(H,17,18)(H2,13,15,19)
InChIKeySNDUHTXSPVPXIG-UHFFFAOYSA-N
XLogP1.39
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid 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

2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191990
2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 106238927
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 65499226
2-[4-(4,4,4-trifluorobutylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115521189
1-(2,6-dichloro-4-pyridinyl)-3-(2-thiophen-2-ylethyl)urea
CID 3286045
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
2-[4-[(2,6-dibromophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107601737
1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 3732089
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid (CID 61191363) is 2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)NCCc2cccs2)cn1.
What is the InChIKey of 2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid?
The InChIKey is SNDUHTXSPVPXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c17-11(18)8-16-7-9(6-14-16)15-12(19)13-4-3-10-2-1-5-20-10/h1-2,5-7H,3-4,8H2,(H,17,18)(H2,13,15,19).
What are the key properties of 2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid?
2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid has a molecular weight of 294.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61191363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).