2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile

C10H12F3N3 — CID 121210685

IUPAC2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile
SMILESCC(C)Cn1nc(C(F)(F)F)cc1CC#N
InChIInChI=1S/C10H12F3N3/c1-7(2)6-16-8(3-4-14)5-9(15-16)10(11,12)13/h5,7H,3,6H2,1-2H3
InChIKeyAOIKBEZVTCTDSM-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.62
Rot. Bonds3

About 2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile

2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile (PubChem CID 121210685) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile
PubChem CID121210685
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile
SMILESCC(C)Cn1nc(C(F)(F)F)cc1CC#N
InChIInChI=1S/C10H12F3N3/c1-7(2)6-16-8(3-4-14)5-9(15-16)10(11,12)13/h5,7H,3,6H2,1-2H3
InChIKeyAOIKBEZVTCTDSM-UHFFFAOYSA-N
XLogP2.62
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile
CID 121210689
1-(chloromethyl)-5-ethyl-3-(trifluoromethyl)pyrazole
CID 121211706
1,5-diethyl-3-(trifluoromethyl)pyrazole
CID 88973141
1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine
CID 121210709
2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane
CID 162523537
(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 7017099
1-(2-methylpropyl)-5-(trifluoromethyl)triazole-4-carbonitrile
CID 82208738
1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]triazole-4-carbonitrile
CID 82208762
5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole
CID 121210625
1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine
CID 53303988
1-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 121213415
2-[1-(1-sulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetonitrile
CID 144600644

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile?
The IUPAC name of 2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile (CID 121210685) is 2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile is CC(C)Cn1nc(C(F)(F)F)cc1CC#N.
What is the InChIKey of 2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile?
The InChIKey is AOIKBEZVTCTDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-7(2)6-16-8(3-4-14)5-9(15-16)10(11,12)13/h5,7H,3,6H2,1-2H3.
What are the key properties of 2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile?
2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile has a molecular weight of 231.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile is sourced from PubChem (CID 121210685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).