1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole

C8H11F2N3 — CID 143151335

IUPAC1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole
SMILESCC(F)(F)c1ccn(C2CNC2)n1
InChIInChI=1S/C8H11F2N3/c1-8(9,10)7-2-3-13(12-7)6-4-11-5-6/h2-3,6,11H,4-5H2,1H3
InChIKeyBXHSHNHIPPZROD-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.14
Rot. Bonds2

About 1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole

1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole (PubChem CID 143151335) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole
PubChem CID143151335
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole
SMILESCC(F)(F)c1ccn(C2CNC2)n1
InChIInChI=1S/C8H11F2N3/c1-8(9,10)7-2-3-13(12-7)6-4-11-5-6/h2-3,6,11H,4-5H2,1H3
InChIKeyBXHSHNHIPPZROD-UHFFFAOYSA-N
XLogP1.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
1-(1-Ethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 17024749
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19585894
1-(3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-2-amine
CID 19616395
alpha,1-Dimethyl-1H-pyrazole-3-methanamine
CID 19616543
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19616958
2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]ethanamine
CID 19620741
2-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine
CID 49757585
3-(1-methyl-1H-pyrazol-5-yl)propan-1-amine
CID 55266680
2-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 60136571
1-(1-methyl-1H-pyrazol-3-yl)propan-1-amine
CID 65200402
1-(1-isopropyl-1H-pyrazol-3-yl)-ethylamine
CID 102550785

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole?
The IUPAC name of 1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole (CID 143151335) is 1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole.
What is the SMILES notation for 1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole?
The canonical SMILES for 1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole is CC(F)(F)c1ccn(C2CNC2)n1.
What is the InChIKey of 1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole?
The InChIKey is BXHSHNHIPPZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-8(9,10)7-2-3-13(12-7)6-4-11-5-6/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole?
1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole has a molecular weight of 187.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole is sourced from PubChem (CID 143151335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).