1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea

C20H25FN4O2 — CID 118763908

IUPAC1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
SMILESO=C(NCC1(c2cccc(F)c2)CCOCC1)Nc1ccnn1CC1CC1
InChIInChI=1S/C20H25FN4O2/c21-17-3-1-2-16(12-17)20(7-10-27-11-8-20)14-22-19(26)24-18-6-9-23-25(18)13-15-4-5-15/h1-3,6,9,12,15H,4-5,7-8,10-11,13-14H2,(H2,22,24,26)
InChIKeyVAWGKYFGQLSXEU-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.30
Rot. Bonds6

About 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea

1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea (PubChem CID 118763908) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
PubChem CID118763908
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
SMILESO=C(NCC1(c2cccc(F)c2)CCOCC1)Nc1ccnn1CC1CC1
InChIInChI=1S/C20H25FN4O2/c21-17-3-1-2-16(12-17)20(7-10-27-11-8-20)14-22-19(26)24-18-6-9-23-25(18)13-15-4-5-15/h1-3,6,9,12,15H,4-5,7-8,10-11,13-14H2,(H2,22,24,26)
InChIKeyVAWGKYFGQLSXEU-UHFFFAOYSA-N
XLogP3.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125157021
(9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125170054
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methylcyclohexylidene)acetamide
CID 86952712
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154906936
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 52739663
4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 71886816
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 118776703
(3S)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 125447763
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
CID 86896048
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
CID 175658431

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea?
The IUPAC name of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea (CID 118763908) is 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea.
What is the SMILES notation for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea?
The canonical SMILES for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea is O=C(NCC1(c2cccc(F)c2)CCOCC1)Nc1ccnn1CC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea?
The InChIKey is VAWGKYFGQLSXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c21-17-3-1-2-16(12-17)20(7-10-27-11-8-20)14-22-19(26)24-18-6-9-23-25(18)13-15-4-5-15/h1-3,6,9,12,15H,4-5,7-8,10-11,13-14H2,(H2,22,24,26).
What are the key properties of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea?
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea has a molecular weight of 372.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea is sourced from PubChem (CID 118763908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).