1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea

C20H20FN5O — CID 126792281

IUPAC1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
SMILESCn1cnc(-c2cccc(NC(=O)N(Cc3ccccc3F)C3CC3)c2)n1
InChIInChI=1S/C20H20FN5O/c1-25-13-22-19(24-25)14-6-4-7-16(11-14)23-20(27)26(17-9-10-17)12-15-5-2-3-8-18(15)21/h2-8,11,13,17H,9-10,12H2,1H3,(H,23,27)
InChIKeyUTLHKPQKVXEIKU-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.82
Rot. Bonds5

About 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea

1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea (PubChem CID 126792281) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
PubChem CID126792281
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
SMILESCn1cnc(-c2cccc(NC(=O)N(Cc3ccccc3F)C3CC3)c2)n1
InChIInChI=1S/C20H20FN5O/c1-25-13-22-19(24-25)14-6-4-7-16(11-14)23-20(27)26(17-9-10-17)12-15-5-2-3-8-18(15)21/h2-8,11,13,17H,9-10,12H2,1H3,(H,23,27)
InChIKeyUTLHKPQKVXEIKU-UHFFFAOYSA-N
XLogP3.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea
CID 126785941
1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea
CID 86797483
3-(cyclopropanecarbonylamino)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]benzamide
CID 34577765
1-[(2R)-2-cyanopropyl]-1-ethyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 99715508
3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea
CID 19935101
3-(4-butoxyphenyl)-1-cyclohexyl-1-[(2-fluorophenyl)methyl]urea
CID 17383973
cis-(1S,3R)-2,2-dimethyl-3-[[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066619
1-cyclobutyl-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea
CID 97224559
(2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 99715599
3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea
CID 47049656
1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111435009
4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 136522591

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea (CID 126792281) is 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea is Cn1cnc(-c2cccc(NC(=O)N(Cc3ccccc3F)C3CC3)c2)n1.
What is the InChIKey of 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The InChIKey is UTLHKPQKVXEIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-25-13-22-19(24-25)14-6-4-7-16(11-14)23-20(27)26(17-9-10-17)12-15-5-2-3-8-18(15)21/h2-8,11,13,17H,9-10,12H2,1H3,(H,23,27).
What are the key properties of 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea?
1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea has a molecular weight of 365.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea is sourced from PubChem (CID 126792281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).