1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole

C9H13F3N2 — CID 146626732

IUPAC1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole
SMILESCC(C)Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-6(2)4-7-5-14(3)13-8(7)9(10,11)12/h5-6H,4H2,1-3H3
InChIKeyCXIBZJUUWDEAMT-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.64
Rot. Bonds2

About 1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole

1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole (PubChem CID 146626732) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole
PubChem CID146626732
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole
SMILESCC(C)Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-6(2)4-7-5-14(3)13-8(7)9(10,11)12/h5-6H,4H2,1-3H3
InChIKeyCXIBZJUUWDEAMT-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
CID 83675743
ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 156863648
1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 148767484
1-methyl-3-(trifluoromethyl)pyrazole-4-thiol
CID 123615919
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167928
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126965188
1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965310
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane
CID 177147966
1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 75480753
(2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide
CID 97341719
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 122167904
3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167934

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole (CID 146626732) is 1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole is CC(C)Cc1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is CXIBZJUUWDEAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-6(2)4-7-5-14(3)13-8(7)9(10,11)12/h5-6H,4H2,1-3H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole?
1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 206.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 146626732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).