3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea

C14H20N4OS — CID 71989927

IUPAC3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea
SMILESCCc1cc(CNC(=O)N(C)CCc2cccs2)[nH]n1
InChIInChI=1S/C14H20N4OS/c1-3-11-9-12(17-16-11)10-15-14(19)18(2)7-6-13-5-4-8-20-13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyXOXSAUPGIQYCEJ-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.42
Rot. Bonds6

About 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea

3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea (PubChem CID 71989927) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea
PubChem CID71989927
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea
SMILESCCc1cc(CNC(=O)N(C)CCc2cccs2)[nH]n1
InChIInChI=1S/C14H20N4OS/c1-3-11-9-12(17-16-11)10-15-14(19)18(2)7-6-13-5-4-8-20-13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyXOXSAUPGIQYCEJ-UHFFFAOYSA-N
XLogP2.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea (CID 71989927) is 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea is CCc1cc(CNC(=O)N(C)CCc2cccs2)[nH]n1.
What is the InChIKey of 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is XOXSAUPGIQYCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-11-9-12(17-16-11)10-15-14(19)18(2)7-6-13-5-4-8-20-13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea?
3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 292.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 71989927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).