1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea

C19H19FN4O3 — CID 42687429

IUPAC1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2c(-c3ccc(OC)cc3F)n[nH]c2C)c1
InChIInChI=1S/C19H19FN4O3/c1-11-17(22-19(25)21-12-5-4-6-13(9-12)26-2)18(24-23-11)15-8-7-14(27-3)10-16(15)20/h4-10H,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyAMURIFZYTMUFIP-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.19
Rot. Bonds5

About 1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea

1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea (PubChem CID 42687429) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea
PubChem CID42687429
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2c(-c3ccc(OC)cc3F)n[nH]c2C)c1
InChIInChI=1S/C19H19FN4O3/c1-11-17(22-19(25)21-12-5-4-6-13(9-12)26-2)18(24-23-11)15-8-7-14(27-3)10-16(15)20/h4-10H,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyAMURIFZYTMUFIP-UHFFFAOYSA-N
XLogP4.19
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea
CID 42687470
1-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42874376
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42687451
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methoxyphenyl)propanamide
CID 20950780
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42685754
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea
CID 103269220
N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
CID 42686773
1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 46105523
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea (CID 42687429) is 1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2c(-c3ccc(OC)cc3F)n[nH]c2C)c1.
What is the InChIKey of 1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea?
The InChIKey is AMURIFZYTMUFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-11-17(22-19(25)21-12-5-4-6-13(9-12)26-2)18(24-23-11)15-8-7-14(27-3)10-16(15)20/h4-10H,1-3H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea?
1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea has a molecular weight of 370.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 42687429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).