1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea

C16H16N4OS — CID 42687516

IUPAC1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea
SMILESCCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C16H16N4OS/c1-2-12-14(15(20-19-12)13-9-6-10-22-13)18-16(21)17-11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyVBFWXHSNOAUQLC-UHFFFAOYSA-N
MW312.40 g/mol
LogP4.34
Rot. Bonds4

About 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea

1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea (PubChem CID 42687516) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea
PubChem CID42687516
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea
SMILESCCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C16H16N4OS/c1-2-12-14(15(20-19-12)13-9-6-10-22-13)18-16(21)17-11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyVBFWXHSNOAUQLC-UHFFFAOYSA-N
XLogP4.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-(2-thienyl)-6-phenylpyrazolo[1,5-d]-[1,2,4]triazin-7(6h)-one
CID 12964792
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 53615168
3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea
CID 71989927
3-{[3-(Thiophen-2-yl)-1 h-pyrazol-5-yl]methyl}quinoxalin-2(1 h)-one
CID 129872626
1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea
CID 42687518
1-(2,4-Difluorophenyl)-3-[5-ethyl-3-(thiophen-2-YL)-1H-pyrazol-4-YL]urea
CID 42687519
1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
CID 42687525
1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
CID 42687526
1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(3-fluorophenyl)urea
CID 42874405
1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 42874408
1-(2-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
CID 42874411
N-(4-fluorophenyl)-2-[2-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]sulfanylacetamide
CID 56555552

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea?
The IUPAC name of 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea (CID 42687516) is 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea.
What is the SMILES notation for 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea?
The canonical SMILES for 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea is CCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea?
The InChIKey is VBFWXHSNOAUQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-12-14(15(20-19-12)13-9-6-10-22-13)18-16(21)17-11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea?
1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea has a molecular weight of 312.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-phenylurea is sourced from PubChem (CID 42687516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).