1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

C19H19ClN4O3 — CID 108813138

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCOc1cc(NC(=O)Nc2cc(-c3ccccc3)n(C)n2)c(OC)cc1Cl
InChIInChI=1S/C19H19ClN4O3/c1-24-15(12-7-5-4-6-8-12)11-18(23-24)22-19(25)21-14-10-16(26-2)13(20)9-17(14)27-3/h4-11H,1-3H3,(H2,21,22,23,25)
InChIKeyFTSBHPXSKIDSLE-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.40
Rot. Bonds5

About 1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (PubChem CID 108813138) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
PubChem CID108813138
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCOc1cc(NC(=O)Nc2cc(-c3ccccc3)n(C)n2)c(OC)cc1Cl
InChIInChI=1S/C19H19ClN4O3/c1-24-15(12-7-5-4-6-8-12)11-18(23-24)22-19(25)21-14-10-16(26-2)13(20)9-17(14)27-3/h4-11H,1-3H3,(H2,21,22,23,25)
InChIKeyFTSBHPXSKIDSLE-UHFFFAOYSA-N
XLogP4.40
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
1-(1-methyl-5-phenylpyrazol-3-yl)-3-(2-nitrophenyl)urea
CID 108812854
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813156
1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813006
1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813031
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827293
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
CID 52594568
1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813193
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (CID 108813138) is 1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is COc1cc(NC(=O)Nc2cc(-c3ccccc3)n(C)n2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The InChIKey is FTSBHPXSKIDSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-24-15(12-7-5-4-6-8-12)11-18(23-24)22-19(25)21-14-10-16(26-2)13(20)9-17(14)27-3/h4-11H,1-3H3,(H2,21,22,23,25).
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea has a molecular weight of 386.84 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 108813138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).