1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea

C15H14N6O — CID 99835736

IUPAC1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea
SMILESCc1cc(NC(=O)Nc2cnc(-c3ccccc3)nc2)n[nH]1
InChIInChI=1S/C15H14N6O/c1-10-7-13(21-20-10)19-15(22)18-12-8-16-14(17-9-12)11-5-3-2-4-6-11/h2-9H,1H3,(H3,18,19,20,21,22)
InChIKeyCPDWTZUUSRXFNA-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.82
Rot. Bonds3

About 1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea

1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea (PubChem CID 99835736) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea
PubChem CID99835736
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea
SMILESCc1cc(NC(=O)Nc2cnc(-c3ccccc3)nc2)n[nH]1
InChIInChI=1S/C15H14N6O/c1-10-7-13(21-20-10)19-15(22)18-12-8-16-14(17-9-12)11-5-3-2-4-6-11/h2-9H,1H3,(H3,18,19,20,21,22)
InChIKeyCPDWTZUUSRXFNA-UHFFFAOYSA-N
XLogP2.82
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63818723
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CID 55262140
N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
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CID 63819414
1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylurea
CID 3699828
1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620407
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
CID 35591898
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CID 63820246

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea (CID 99835736) is 1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea is Cc1cc(NC(=O)Nc2cnc(-c3ccccc3)nc2)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea?
The InChIKey is CPDWTZUUSRXFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-10-7-13(21-20-10)19-15(22)18-12-8-16-14(17-9-12)11-5-3-2-4-6-11/h2-9H,1H3,(H3,18,19,20,21,22).
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea?
1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea has a molecular weight of 294.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea is sourced from PubChem (CID 99835736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).