1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea

C19H20N4O3 — CID 71654828

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c(OC)c1
InChIInChI=1S/C19H20N4O3/c1-25-17-8-5-14(18(9-17)26-2)10-20-19(24)23-16-6-3-13(4-7-16)15-11-21-22-12-15/h3-9,11-12H,10H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyIEBMZSUHFMKXJW-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.42
Rot. Bonds6

About 1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea

1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 71654828) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID71654828
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c(OC)c1
InChIInChI=1S/C19H20N4O3/c1-25-17-8-5-14(18(9-17)26-2)10-20-19(24)23-16-6-3-13(4-7-16)15-11-21-22-12-15/h3-9,11-12H,10H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyIEBMZSUHFMKXJW-UHFFFAOYSA-N
XLogP3.42
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 110774913
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
CID 135223318
1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 78892965
(2,4-dimethoxyphenyl)methylurea
CID 53362457
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 72872817
2-(2,4-dimethoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 17457100
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 71654828) is 1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is COc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is IEBMZSUHFMKXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-17-8-5-14(18(9-17)26-2)10-20-19(24)23-16-6-3-13(4-7-16)15-11-21-22-12-15/h3-9,11-12H,10H2,1-2H3,(H,21,22)(H2,20,23,24).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 352.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 71654828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).