1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea

C19H20N4O2 — CID 17284912

IUPAC1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
SMILESCOc1cccc(Cn2cc(NC(=O)Nc3ccccc3C)cn2)c1
InChIInChI=1S/C19H20N4O2/c1-14-6-3-4-9-18(14)22-19(24)21-16-11-20-23(13-16)12-15-7-5-8-17(10-15)25-2/h3-11,13H,12H2,1-2H3,(H2,21,22,24)
InChIKeyKRXLXPLBIJSEDY-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.89
Rot. Bonds5

About 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea

1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea (PubChem CID 17284912) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
PubChem CID17284912
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
SMILESCOc1cccc(Cn2cc(NC(=O)Nc3ccccc3C)cn2)c1
InChIInChI=1S/C19H20N4O2/c1-14-6-3-4-9-18(14)22-19(24)21-16-11-20-23(13-16)12-15-7-5-8-17(10-15)25-2/h3-11,13H,12H2,1-2H3,(H2,21,22,24)
InChIKeyKRXLXPLBIJSEDY-UHFFFAOYSA-N
XLogP3.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 19447912
1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea
CID 2956043
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
CID 35521519
2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410114
4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410222
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19410192
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559692
4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496247

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea (CID 17284912) is 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea is COc1cccc(Cn2cc(NC(=O)Nc3ccccc3C)cn2)c1.
What is the InChIKey of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea?
The InChIKey is KRXLXPLBIJSEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-6-3-4-9-18(14)22-19(24)21-16-11-20-23(13-16)12-15-7-5-8-17(10-15)25-2/h3-11,13H,12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea?
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea has a molecular weight of 336.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 17284912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).