N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide

C16H18FN3O2 — CID 129338521

IUPACN-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cn[nH]c1[C@@H]1CCOC1
InChIInChI=1S/C16H18FN3O2/c17-14-4-2-1-3-11(14)5-7-18-16(21)13-9-19-20-15(13)12-6-8-22-10-12/h1-4,9,12H,5-8,10H2,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKeyUPUXRGWQBBEBOL-GFCCVEGCSA-N
MW303.34 g/mol
LogP2.03
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 129338521) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID129338521
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cn[nH]c1[C@@H]1CCOC1
InChIInChI=1S/C16H18FN3O2/c17-14-4-2-1-3-11(14)5-7-18-16(21)13-9-19-20-15(13)12-6-8-22-10-12/h1-4,9,12H,5-8,10H2,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKeyUPUXRGWQBBEBOL-GFCCVEGCSA-N
XLogP2.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 129474098
N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472298
N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472950
5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 72930885
N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129000622
N-(dicyclopropylmethyl)-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129471954
6-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 113200165
N-(1-methylsulfanylbutan-2-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129001193
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 136533769
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832022
N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 128968053
N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 129472204

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide (CID 129338521) is N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide is O=C(NCCc1ccccc1F)c1cn[nH]c1[C@@H]1CCOC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is UPUXRGWQBBEBOL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-14-4-2-1-3-11(14)5-7-18-16(21)13-9-19-20-15(13)12-6-8-22-10-12/h1-4,9,12H,5-8,10H2,(H,18,21)(H,19,20)/t12-/m1/s1.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129338521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).