1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea

C16H22N4O — CID 35766434

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea
SMILESCCn1nc(C)cc1NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-5-20-15(10-12(4)19-20)18-16(21)17-14-8-6-13(7-9-14)11(2)3/h6-11H,5H2,1-4H3,(H2,17,18,21)
InChIKeyBSIANZHRBZXASV-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.98
Rot. Bonds4

About 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea

1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 35766434) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea
PubChem CID35766434
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea
SMILESCCn1nc(C)cc1NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-5-20-15(10-12(4)19-20)18-16(21)17-14-8-6-13(7-9-14)11(2)3/h6-11H,5H2,1-4H3,(H2,17,18,21)
InChIKeyBSIANZHRBZXASV-UHFFFAOYSA-N
XLogP3.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39742337
1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339833
1-(4-methoxyphenyl)-3-(5-methyl-2-propylpyrazol-3-yl)urea
CID 39853401
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 42731468
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
2-(2,5-dimethylpyrazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110858132
2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 69192332
1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 43133017
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
CID 171133012

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea (CID 35766434) is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea is CCn1nc(C)cc1NC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is BSIANZHRBZXASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-20-15(10-12(4)19-20)18-16(21)17-14-8-6-13(7-9-14)11(2)3/h6-11H,5H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea?
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 286.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 35766434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).