1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea

C18H18N4O2 — CID 72547993

IUPAC1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C18H18N4O2/c1-22-12-14(11-19-22)13-7-9-15(10-8-13)20-18(23)21-16-5-3-4-6-17(16)24-2/h3-12H,1-2H3,(H2,20,21,23)
InChIKeyJQVICVZHPABNDH-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.74
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea

1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea (PubChem CID 72547993) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea
PubChem CID72547993
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C18H18N4O2/c1-22-12-14(11-19-22)13-7-9-15(10-8-13)20-18(23)21-16-5-3-4-6-17(16)24-2/h3-12H,1-2H3,(H2,20,21,23)
InChIKeyJQVICVZHPABNDH-UHFFFAOYSA-N
XLogP3.74
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea
CID 5111829
CID 168763596
CID 168763596
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
[4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate
CID 71478393
2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 139416919
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 46381122
[4-(1-methylpyrazol-4-yl)phenyl]thiourea
CID 169356710
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
1-(2-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)urea
CID 47264478
1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea
CID 95330365
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea (CID 72547993) is 1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea is COc1ccccc1NC(=O)Nc1ccc(-c2cnn(C)c2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea?
The InChIKey is JQVICVZHPABNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22-12-14(11-19-22)13-7-9-15(10-8-13)20-18(23)21-16-5-3-4-6-17(16)24-2/h3-12H,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea?
1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 72547993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).