1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea

C15H14N4OS — CID 150914586

IUPAC1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea
SMILESCc1cc(NC(=O)Nc2ccsc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H14N4OS/c1-11-9-14(17-15(20)16-12-7-8-21-10-12)19(18-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,20)
InChIKeyLCSGFOZNQRPCAW-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.89
Rot. Bonds3

About 1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea

1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea (PubChem CID 150914586) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea
PubChem CID150914586
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea
SMILESCc1cc(NC(=O)Nc2ccsc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H14N4OS/c1-11-9-14(17-15(20)16-12-7-8-21-10-12)19(18-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,20)
InChIKeyLCSGFOZNQRPCAW-UHFFFAOYSA-N
XLogP3.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56844199
1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 150015699
1-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 95133488
1-[(2-fluorophenyl)methyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 71084765
1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea
CID 71812408
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
CID 6932117
N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253077
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 80597871
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea?
The IUPAC name of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea (CID 150914586) is 1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea.
What is the SMILES notation for 1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea?
The canonical SMILES for 1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea is Cc1cc(NC(=O)Nc2ccsc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea?
The InChIKey is LCSGFOZNQRPCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-11-9-14(17-15(20)16-12-7-8-21-10-12)19(18-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,20).
What are the key properties of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea?
1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea has a molecular weight of 298.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea is sourced from PubChem (CID 150914586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).