1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

C14H16Cl2N4O2 — CID 99833219

IUPAC1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCOc1cc(Cl)c(Cl)cc1NC(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H16Cl2N4O2/c1-8-9(7-18-20(8)2)6-17-14(21)19-12-4-10(15)11(16)5-13(12)22-3/h4-5,7H,6H2,1-3H3,(H2,17,19,21)
InChIKeySIKHADWFGKLZCB-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.37
Rot. Bonds4

About 1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 99833219) has the molecular formula C14H16Cl2N4O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
PubChem CID99833219
Molecular FormulaC14H16Cl2N4O2
Molecular Weight343.21 g/mol
Exact Mass342.07
IUPAC Name1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCOc1cc(Cl)c(Cl)cc1NC(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H16Cl2N4O2/c1-8-9(7-18-20(8)2)6-17-14(21)19-12-4-10(15)11(16)5-13(12)22-3/h4-5,7H,6H2,1-3H3,(H2,17,19,21)
InChIKeySIKHADWFGKLZCB-UHFFFAOYSA-N
XLogP3.37
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,5-dichloro-2-pyridinyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 100666319
1-(2-chloro-4-propan-2-yloxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 99823736
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea
CID 75514694
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
CID 52594568
tert-butyl 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]benzoate
CID 122134451
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75523319
1-(5-chloro-2,4-dimethoxyphenyl)-3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]urea
CID 20928640
(3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97137942
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106037408
2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid
CID 106037417
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (CID 99833219) is 1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea is COc1cc(Cl)c(Cl)cc1NC(=O)NCc1cnn(C)c1C.
What is the InChIKey of 1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The InChIKey is SIKHADWFGKLZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2/c1-8-9(7-18-20(8)2)6-17-14(21)19-12-4-10(15)11(16)5-13(12)22-3/h4-5,7H,6H2,1-3H3,(H2,17,19,21).
What are the key properties of 1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 343.21 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 99833219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).