5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide

C17H20FN3O2 — CID 56714444

IUPAC5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C17H20FN3O2/c1-21(11-14-7-2-3-8-23-14)17(22)15-10-19-20-16(15)12-5-4-6-13(18)9-12/h4-6,9-10,14H,2-3,7-8,11H2,1H3,(H,19,20)
InChIKeyZXLNGPUSEWSYPX-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.86
Rot. Bonds4

About 5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide

5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 56714444) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID56714444
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C17H20FN3O2/c1-21(11-14-7-2-3-8-23-14)17(22)15-10-19-20-16(15)12-5-4-6-13(18)9-12/h4-6,9-10,14H,2-3,7-8,11H2,1H3,(H,19,20)
InChIKeyZXLNGPUSEWSYPX-UHFFFAOYSA-N
XLogP2.86
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidine-2-carboxylate
CID 16191558
4-[(1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)carbonyl]morpholine
CID 16190916
ethyl (1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-2-yl)acetate
CID 16191045
N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 162658317
Morpholin-4-yl-[5-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanone
CID 8080898
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 35436856
N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 39977902
4-[3-(3,4-dimethyl-1H-pyrazol-5-yl)propanoyl]-2-(4-fluorobenzyl)morpholine
CID 45209998
2-(4-fluorobenzyl)-4-[(3-methyl-1H-pyrazol-4-yl)carbonyl]morpholine
CID 45227096
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 45864181
(3S*,4R*)-3-methoxy-1-[4-(1H-pyrazol-3-yl)benzoyl]piperidin-4-amine
CID 56877456
5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 70708292

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide (CID 56714444) is 5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide is CN(CC1CCCCO1)C(=O)c1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZXLNGPUSEWSYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-21(11-14-7-2-3-8-23-14)17(22)15-10-19-20-16(15)12-5-4-6-13(18)9-12/h4-6,9-10,14H,2-3,7-8,11H2,1H3,(H,19,20).
What are the key properties of 5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide?
5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 56714444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).