1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole

C9H11F3N2 — CID 115761326

IUPAC1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CC2CCC2)n1
InChIInChI=1S/C9H11F3N2/c10-9(11,12)8-4-5-14(13-8)6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyHHPSMSFUABDEEO-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.70
Rot. Bonds2

About 1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole

1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 115761326) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole
PubChem CID115761326
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CC2CCC2)n1
InChIInChI=1S/C9H11F3N2/c10-9(11,12)8-4-5-14(13-8)6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyHHPSMSFUABDEEO-UHFFFAOYSA-N
XLogP2.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 62371096
ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine
CID 153355444
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine
CID 62565057
2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 90588552
2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one
CID 79569630
N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115593407
1-(cyclobutylmethyl)pyrazole-3-carboxylic acid
CID 65459676
trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide
CID 63702049
1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
CID 116621384
2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813881
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 63912882
2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
CID 43655345

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole (CID 115761326) is 1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(CC2CCC2)n1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is HHPSMSFUABDEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c10-9(11,12)8-4-5-14(13-8)6-7-2-1-3-7/h4-5,7H,1-3,6H2.
What are the key properties of 1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole?
1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 204.19 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 115761326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).