1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea

C19H16N4OS — CID 150015699

IUPAC1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc3ccccc3s2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N4OS/c1-13-11-17(23(22-13)15-8-3-2-4-9-15)20-19(24)21-18-12-14-7-5-6-10-16(14)25-18/h2-12H,1H3,(H2,20,21,24)
InChIKeyDEFHIFGIHBNVLZ-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.04
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea

1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (PubChem CID 150015699) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
PubChem CID150015699
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc3ccccc3s2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N4OS/c1-13-11-17(23(22-13)15-8-3-2-4-9-15)20-19(24)21-18-12-14-7-5-6-10-16(14)25-18/h2-12H,1H3,(H2,20,21,24)
InChIKeyDEFHIFGIHBNVLZ-UHFFFAOYSA-N
XLogP5.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea
CID 150914586
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-[(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
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
1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea
CID 2811404
1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 80597871
1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 22559487
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (CID 150015699) is 1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2cc3ccccc3s2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The InChIKey is DEFHIFGIHBNVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-11-17(23(22-13)15-8-3-2-4-9-15)20-19(24)21-18-12-14-7-5-6-10-16(14)25-18/h2-12H,1H3,(H2,20,21,24).
What are the key properties of 1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea has a molecular weight of 348.43 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 150015699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).