1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea

C19H19FN4O2 — CID 1298355

IUPAC1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN4O2/c1-13-3-8-18(26-2)17(9-13)23-19(25)22-16-10-21-24(12-16)11-14-4-6-15(20)7-5-14/h3-10,12H,11H2,1-2H3,(H2,22,23,25)
InChIKeyUYTYZXSMDMQKMQ-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.03
Rot. Bonds5

About 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea

1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 1298355) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID1298355
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN4O2/c1-13-3-8-18(26-2)17(9-13)23-19(25)22-16-10-21-24(12-16)11-14-4-6-15(20)7-5-14/h3-10,12H,11H2,1-2H3,(H2,22,23,25)
InChIKeyUYTYZXSMDMQKMQ-UHFFFAOYSA-N
XLogP4.03
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea (CID 1298355) is 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)Nc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is UYTYZXSMDMQKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-13-3-8-18(26-2)17(9-13)23-19(25)22-16-10-21-24(12-16)11-14-4-6-15(20)7-5-14/h3-10,12H,11H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea?
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 354.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 1298355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).