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

C18H17FN4O2 — CID 71654895

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1F
InChIInChI=1S/C18H17FN4O2/c1-25-17-7-2-12(8-16(17)19)9-20-18(24)23-15-5-3-13(4-6-15)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyWSSHTSUKUMQTAC-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.55
Rot. Bonds5

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

1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 71654895) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID71654895
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1F
InChIInChI=1S/C18H17FN4O2/c1-25-17-7-2-12(8-16(17)19)9-20-18(24)23-15-5-3-13(4-6-15)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyWSSHTSUKUMQTAC-UHFFFAOYSA-N
XLogP3.55
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 71654895) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is COc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is WSSHTSUKUMQTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-25-17-7-2-12(8-16(17)19)9-20-18(24)23-15-5-3-13(4-6-15)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 340.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 71654895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).