1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea

C16H14N4O — CID 60969581

IUPAC1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H14N4O/c21-16(18-13-6-2-1-3-7-13)19-14-8-4-5-12(11-14)15-9-10-17-20-15/h1-11H,(H,17,20)(H2,18,19,21)
InChIKeyHZKYNAWNCZUHOP-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.72
Rot. Bonds3

About 1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea

1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea (PubChem CID 60969581) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
PubChem CID60969581
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H14N4O/c21-16(18-13-6-2-1-3-7-13)19-14-8-4-5-12(11-14)15-9-10-17-20-15/h1-11H,(H,17,20)(H2,18,19,21)
InChIKeyHZKYNAWNCZUHOP-UHFFFAOYSA-N
XLogP3.72
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 43073751
2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 42958308
2-phenyl-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide
CID 43073756
N-[3-(1H-pyrazol-5-yl)phenyl]furan-2-carboxamide
CID 37044226
2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 37044565
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 79285096
benzene;[3-(1H-pyrazol-5-yl)anilino]methanone;yttrium
CID 162454004
2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
CID 106753513
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
CID 66919843
1-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 118764489

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea (CID 60969581) is 1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea is O=C(Nc1ccccc1)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is HZKYNAWNCZUHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(18-13-6-2-1-3-7-13)19-14-8-4-5-12(11-14)15-9-10-17-20-15/h1-11H,(H,17,20)(H2,18,19,21).
What are the key properties of 1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 278.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 60969581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).