1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea

C17H16N4O — CID 5111829

IUPAC1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea
SMILESCn1cc(-c2ccccc2NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C17H16N4O/c1-21-12-13(11-18-21)15-9-5-6-10-16(15)20-17(22)19-14-7-3-2-4-8-14/h2-12H,1H3,(H2,19,20,22)
InChIKeyOPSKXNDTHDDCOQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.73
Rot. Bonds3

About 1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea

1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea (PubChem CID 5111829) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea
PubChem CID5111829
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea
SMILESCn1cc(-c2ccccc2NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C17H16N4O/c1-21-12-13(11-18-21)15-9-5-6-10-16(15)20-17(22)19-14-7-3-2-4-8-14/h2-12H,1H3,(H2,19,20,22)
InChIKeyOPSKXNDTHDDCOQ-UHFFFAOYSA-N
XLogP3.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea
CID 72547993
2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 139416919
N-[2-(phenylcarbamoylamino)phenyl]acetamide
CID 113093680
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081
1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea
CID 166211641
2-[2-[[2-(1-methylpyrazol-4-yl)phenyl]methylamino]-2-oxoethyl]sulfanylacetic acid
CID 120551387
methyl 3-amino-6-[2-(phenylcarbamoylamino)phenyl]thieno[3,2-b]pyridine-2-carboxylate
CID 102491525
5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid
CID 68882385
1-(2-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)urea
CID 47264478
2-fluoro-6-(1-methylpyrazol-4-yl)benzoic acid
CID 114560297
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea (CID 5111829) is 1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea is Cn1cc(-c2ccccc2NC(=O)Nc2ccccc2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea?
The InChIKey is OPSKXNDTHDDCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21-12-13(11-18-21)15-9-5-6-10-16(15)20-17(22)19-14-7-3-2-4-8-14/h2-12H,1H3,(H2,19,20,22).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea?
1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea has a molecular weight of 292.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 5111829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).