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

C18H17FN4O2 — CID 42687470

IUPAC1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea
SMILESCOc1cccc(-c2n[nH]c(C)c2NC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN4O2/c1-11-16(21-18(24)20-14-8-6-13(19)7-9-14)17(23-22-11)12-4-3-5-15(10-12)25-2/h3-10H,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyMMBCLQQWFKGDBT-UHFFFAOYSA-N
MW340.36 g/mol
LogP4.18
Rot. Bonds4

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

1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea (PubChem CID 42687470) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea
PubChem CID42687470
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea
SMILESCOc1cccc(-c2n[nH]c(C)c2NC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN4O2/c1-11-16(21-18(24)20-14-8-6-13(19)7-9-14)17(23-22-11)12-4-3-5-15(10-12)25-2/h3-10H,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyMMBCLQQWFKGDBT-UHFFFAOYSA-N
XLogP4.18
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea
CID 42687429
1-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687479
1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874332
1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea
CID 153390147
3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42687572
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686957
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686883
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 42874156
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964
1-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42874376

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea (CID 42687470) is 1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea is COc1cccc(-c2n[nH]c(C)c2NC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea?
The InChIKey is MMBCLQQWFKGDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-16(21-18(24)20-14-8-6-13(19)7-9-14)17(23-22-11)12-4-3-5-15(10-12)25-2/h3-10H,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of 1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea?
1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea has a molecular weight of 340.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 42687470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).