1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea

C19H19ClN4O2 — CID 22430391

IUPAC1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H19ClN4O2/c1-12-15(20)10-7-11-16(12)21-19(26)22-17-13(2)23(3)24(18(17)25)14-8-5-4-6-9-14/h4-11H,1-3H3,(H2,21,22,26)
InChIKeyRHWQBIIKYIWBGZ-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.09
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea

1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea (PubChem CID 22430391) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
PubChem CID22430391
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H19ClN4O2/c1-12-15(20)10-7-11-16(12)21-19(26)22-17-13(2)23(3)24(18(17)25)14-8-5-4-6-9-14/h4-11H,1-3H3,(H2,21,22,26)
InChIKeyRHWQBIIKYIWBGZ-UHFFFAOYSA-N
XLogP4.09
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea (CID 22430391) is 1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea is Cc1c(Cl)cccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The InChIKey is RHWQBIIKYIWBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-15(20)10-7-11-16(12)21-19(26)22-17-13(2)23(3)24(18(17)25)14-8-5-4-6-9-14/h4-11H,1-3H3,(H2,21,22,26).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea has a molecular weight of 370.84 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 22430391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).