1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea

C15H20N4O — CID 86987830

IUPAC1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCCc1ccc(C(C)NC(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C15H20N4O/c1-4-12-5-7-13(8-6-12)11(2)17-15(20)18-14-9-16-19(3)10-14/h5-11H,4H2,1-3H3,(H2,17,18,20)
InChIKeyWTRGKJJHVFANQL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.87
Rot. Bonds4

About 1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea

1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea (PubChem CID 86987830) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
PubChem CID86987830
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCCc1ccc(C(C)NC(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C15H20N4O/c1-4-12-5-7-13(8-6-12)11(2)17-15(20)18-14-9-16-19(3)10-14/h5-11H,4H2,1-3H3,(H2,17,18,20)
InChIKeyWTRGKJJHVFANQL-UHFFFAOYSA-N
XLogP2.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4-ethylphenyl)ethyl]-3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]urea
CID 95786593
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 94797599
N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47284219
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-ethylphenyl)urea
CID 26871510
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 111473435
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
2-[(1-methylpyrazol-4-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61199623
2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid
CID 61199619
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea (CID 86987830) is 1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea is CCc1ccc(C(C)NC(=O)Nc2cnn(C)c2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is WTRGKJJHVFANQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-12-5-7-13(8-6-12)11(2)17-15(20)18-14-9-16-19(3)10-14/h5-11H,4H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea?
1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 272.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 86987830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).