1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea

C16H18N6O — CID 119049281

IUPAC1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
SMILESCCc1c(NC(=O)Nc2ccn[nH]2)cnn1-c1ccccc1C
InChIInChI=1S/C16H18N6O/c1-3-13-12(19-16(23)20-15-8-9-17-21-15)10-18-22(13)14-7-5-4-6-11(14)2/h4-10H,3H2,1-2H3,(H3,17,19,20,21,23)
InChIKeyLLNDSWISFHIHES-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.11
Rot. Bonds4

About 1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea

1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea (PubChem CID 119049281) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
PubChem CID119049281
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
SMILESCCc1c(NC(=O)Nc2ccn[nH]2)cnn1-c1ccccc1C
InChIInChI=1S/C16H18N6O/c1-3-13-12(19-16(23)20-15-8-9-17-21-15)10-18-22(13)14-7-5-4-6-11(14)2/h4-10H,3H2,1-2H3,(H3,17,19,20,21,23)
InChIKeyLLNDSWISFHIHES-UHFFFAOYSA-N
XLogP3.11
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
CID 129359337
N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441481
[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbamic acid
CID 170168452
1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea
CID 47388450
1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
CID 166226394
N-cyclopropyl-5-ethyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 42818270
1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61394455
[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
CID 66441482
N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine
CID 154785406
5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 59735130
1-(4-methyl-1H-indazol-6-yl)-3-(1H-pyrazol-5-yl)urea
CID 166226374
2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393587

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea?
The IUPAC name of 1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea (CID 119049281) is 1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea?
The canonical SMILES for 1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea is CCc1c(NC(=O)Nc2ccn[nH]2)cnn1-c1ccccc1C.
What is the InChIKey of 1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea?
The InChIKey is LLNDSWISFHIHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-13-12(19-16(23)20-15-8-9-17-21-15)10-18-22(13)14-7-5-4-6-11(14)2/h4-10H,3H2,1-2H3,(H3,17,19,20,21,23).
What are the key properties of 1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea?
1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea has a molecular weight of 310.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea is sourced from PubChem (CID 119049281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).