1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea

C11H12N4O — CID 61394391

IUPAC1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C11H12N4O/c1-8-2-4-9(5-3-8)13-11(16)14-10-6-7-12-15-10/h2-7H,1H3,(H3,12,13,14,15,16)
InChIKeyDISLJZQFYRNNHE-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.36
Rot. Bonds2

About 1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea

1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea (PubChem CID 61394391) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
PubChem CID61394391
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C11H12N4O/c1-8-2-4-9(5-3-8)13-11(16)14-10-6-7-12-15-10/h2-7H,1H3,(H3,12,13,14,15,16)
InChIKeyDISLJZQFYRNNHE-UHFFFAOYSA-N
XLogP2.36
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-1H-indazol-6-yl)-3-(1H-pyrazol-5-yl)urea
CID 166226374
1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea
CID 171801136
1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea
CID 166226370
1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
CID 166226394
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 113433831
1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea
CID 47388450
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea (CID 61394391) is 1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea is Cc1ccc(NC(=O)Nc2ccn[nH]2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea?
The InChIKey is DISLJZQFYRNNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-2-4-9(5-3-8)13-11(16)14-10-6-7-12-15-10/h2-7H,1H3,(H3,12,13,14,15,16).
What are the key properties of 1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea?
1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea has a molecular weight of 216.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea is sourced from PubChem (CID 61394391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).