N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine

C9H14F3N3 — CID 163590707

IUPACN-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)cc1NC(C)(C)C
InChIInChI=1S/C9H14F3N3/c1-8(2,3)13-7-5-6(9(10,11)12)14-15(7)4/h5,13H,1-4H3
InChIKeyGPHOZWLRQGDKCH-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.65
Rot. Bonds1

About N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine

N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 163590707) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID163590707
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)cc1NC(C)(C)C
InChIInChI=1S/C9H14F3N3/c1-8(2,3)13-7-5-6(9(10,11)12)14-15(7)4/h5,13H,1-4H3
InChIKeyGPHOZWLRQGDKCH-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 174343324
1-methyl-5-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 59356398
1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126967785
1-methyl-3-(trifluoromethyl)pyrazole-5-carbothialdehyde
CID 175261994
N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 169091207
5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861950
3,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline
CID 19626174
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol
CID 178058442
1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole
CID 178092715

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 163590707) is N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is Cn1nc(C(F)(F)F)cc1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is GPHOZWLRQGDKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-8(2,3)13-7-5-6(9(10,11)12)14-15(7)4/h5,13H,1-4H3.
What are the key properties of N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 221.23 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 163590707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).