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

C11H15F2N3O2 — CID 121495779

IUPAC5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCCC1CCOC1)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C11H15F2N3O2/c12-10(13)8-5-9(16-15-8)11(17)14-3-1-7-2-4-18-6-7/h5,7,10H,1-4,6H2,(H,14,17)(H,15,16)
InChIKeyJFXRPWPWUXTTPI-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.50
Rot. Bonds5

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

5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 121495779) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID121495779
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCCC1CCOC1)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C11H15F2N3O2/c12-10(13)8-5-9(16-15-8)11(17)14-3-1-7-2-4-18-6-7/h5,7,10H,1-4,6H2,(H,14,17)(H,15,16)
InChIKeyJFXRPWPWUXTTPI-UHFFFAOYSA-N
XLogP1.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219715
5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 125179595
2-hydrazinyl-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114220716
N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 99704181
4-methoxy-N-[2-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 122570420
2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 114131907
N-[2-(oxolan-3-yl)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326031
5,7-dimethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 124750862
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 125441800
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
5-(difluoromethyl)-N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449599

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 121495779) is 5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide is O=C(NCCC1CCOC1)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is JFXRPWPWUXTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-10(13)8-5-9(16-15-8)11(17)14-3-1-7-2-4-18-6-7/h5,7,10H,1-4,6H2,(H,14,17)(H,15,16).
What are the key properties of 5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 121495779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).