1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

C20H20FN3O3 — CID 86844455

IUPAC1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C20H20FN3O3/c21-15-4-1-5-16(12-15)24-9-8-19(22-24)20(25)23(13-17-6-2-10-26-17)14-18-7-3-11-27-18/h1-2,4-6,8-10,12,18H,3,7,11,13-14H2
InChIKeyFGFFDOUQTJIWLI-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.43
Rot. Bonds6

About 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 86844455) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID86844455
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C20H20FN3O3/c21-15-4-1-5-16(12-15)24-9-8-19(22-24)20(25)23(13-17-6-2-10-26-17)14-18-7-3-11-27-18/h1-2,4-6,8-10,12,18H,3,7,11,13-14H2
InChIKeyFGFFDOUQTJIWLI-UHFFFAOYSA-N
XLogP3.43
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 122145390
N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 1058845
N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 1058846
6-fluoro-N-(furan-2-ylmethyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541191
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 665462
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350
N-(furan-2-ylmethyl)-3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
CID 42664603
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4059297
(1R,5S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97236897

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (CID 86844455) is 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is O=C(c1ccn(-c2cccc(F)c2)n1)N(Cc1ccco1)CC1CCCO1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is FGFFDOUQTJIWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-4-1-5-16(12-15)24-9-8-19(22-24)20(25)23(13-17-6-2-10-26-17)14-18-7-3-11-27-18/h1-2,4-6,8-10,12,18H,3,7,11,13-14H2.
What are the key properties of 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 86844455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).