3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide

C18H18FN3O3 — CID 71804442

IUPAC3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C18H18FN3O3/c1-22-16(10-15(21-22)12-2-4-14(19)5-3-12)18(24)20-8-6-17(23)13-7-9-25-11-13/h2-5,7,9-11,17,23H,6,8H2,1H3,(H,20,24)
InChIKeyZWJWOMMPYRNCDW-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.67
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide (PubChem CID 71804442) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide
PubChem CID71804442
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C18H18FN3O3/c1-22-16(10-15(21-22)12-2-4-14(19)5-3-12)18(24)20-8-6-17(23)13-7-9-25-11-13/h2-5,7,9-11,17,23H,6,8H2,1H3,(H,20,24)
InChIKeyZWJWOMMPYRNCDW-UHFFFAOYSA-N
XLogP2.67
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 90613430
3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106229
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106407
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide
CID 131703935
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
2-chloro-1-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanone
CID 134085993
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122324623
N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122243960
N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 5199691
3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106275
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71804418

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide (CID 71804442) is 3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCC(O)c1ccoc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is ZWJWOMMPYRNCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-22-16(10-15(21-22)12-2-4-14(19)5-3-12)18(24)20-8-6-17(23)13-7-9-25-11-13/h2-5,7,9-11,17,23H,6,8H2,1H3,(H,20,24).
What are the key properties of 3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71804442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).