1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C20H22N4O2 — CID 87035704

IUPAC1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cccc(Cn3cccn3)c2)cc1C
InChIInChI=1S/C20H22N4O2/c1-15-11-18(7-8-19(15)26-2)23-20(25)21-13-16-5-3-6-17(12-16)14-24-10-4-9-22-24/h3-12H,13-14H2,1-2H3,(H2,21,23,25)
InChIKeyYUXQUQFKWPRHAP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.57
Rot. Bonds6

About 1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 87035704) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID87035704
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cccc(Cn3cccn3)c2)cc1C
InChIInChI=1S/C20H22N4O2/c1-15-11-18(7-8-19(15)26-2)23-20(25)21-13-16-5-3-6-17(12-16)14-24-10-4-9-22-24/h3-12H,13-14H2,1-2H3,(H2,21,23,25)
InChIKeyYUXQUQFKWPRHAP-UHFFFAOYSA-N
XLogP3.57
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266
1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86837888
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55743504
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 86987887
1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea
CID 142000111
1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 112824919
(E)-3-(2-methoxy-5-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide
CID 46424056

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 87035704) is 1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea is COc1ccc(NC(=O)NCc2cccc(Cn3cccn3)c2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is YUXQUQFKWPRHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-11-18(7-8-19(15)26-2)23-20(25)21-13-16-5-3-6-17(12-16)14-24-10-4-9-22-24/h3-12H,13-14H2,1-2H3,(H2,21,23,25).
What are the key properties of 1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 350.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 87035704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).