1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide

C18H22FN3O2 — CID 24712301

IUPAC1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2CCCO2)cnn1-c1cccc(F)c1
InChIInChI=1S/C18H22FN3O2/c1-12(2)17-16(18(23)20-10-15-7-4-8-24-15)11-21-22(17)14-6-3-5-13(19)9-14/h3,5-6,9,11-12,15H,4,7-8,10H2,1-2H3,(H,20,23)
InChIKeySZACUYOEPYMUKX-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.04
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide

1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 24712301) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID24712301
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2CCCO2)cnn1-c1cccc(F)c1
InChIInChI=1S/C18H22FN3O2/c1-12(2)17-16(18(23)20-10-15-7-4-8-24-15)11-21-22(17)14-6-3-5-13(19)9-14/h3,5-6,9,11-12,15H,4,7-8,10H2,1-2H3,(H,20,23)
InChIKeySZACUYOEPYMUKX-UHFFFAOYSA-N
XLogP3.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 156601815
1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42818321
1-(3-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
CID 27261475
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
1-(3-methylphenyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42820453
1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511365
N-[[(3S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 98794915
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide
CID 42818218
3-[[5-(4-chloro-3-methylphenoxy)-2-(3-fluorophenyl)-3-oxopyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46002261
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361451

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 24712301) is 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NCC2CCCO2)cnn1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is SZACUYOEPYMUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12(2)17-16(18(23)20-10-15-7-4-8-24-15)11-21-22(17)14-6-3-5-13(19)9-14/h3,5-6,9,11-12,15H,4,7-8,10H2,1-2H3,(H,20,23).
What are the key properties of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 24712301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).