methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine

C15H24F3N3 — CID 171789308

IUPACmethane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESC.CC1(C)C=C(c2c(N)n[nH]c2C(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C14H20F3N3.CH4/c1-12(2)5-8(6-13(3,4)7-12)9-10(14(15,16)17)19-20-11(9)18;/h5H,6-7H2,1-4H3,(H3,18,19,20);1H4
InChIKeyNHKVPQNUFYOFNQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.88
Rot. Bonds1

About methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine

methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 171789308) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Namemethane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID171789308
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Namemethane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESC.CC1(C)C=C(c2c(N)n[nH]c2C(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C14H20F3N3.CH4/c1-12(2)5-8(6-13(3,4)7-12)9-10(14(15,16)17)19-20-11(9)18;/h5H,6-7H2,1-4H3,(H3,18,19,20);1H4
InChIKeyNHKVPQNUFYOFNQ-UHFFFAOYSA-N
XLogP4.88
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 4737235
3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine
CID 24219856
3-Methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 2782960
4-Methyl-5-phenyl-2H-pyrazol-3-ylamine
CID 318446
4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-3-amine
CID 145989390
4-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 24219250
4-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 16765316
4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine hydrochloride
CID 71778797
4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine
CID 15841133
4-ethyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 28283185
3-(2-Fluorophenyl)-4-methyl-1H-pyrazol-5-amine
CID 33782768
4-(2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33782896

Frequently Asked Questions

What is the IUPAC name of methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 171789308) is methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine is C.CC1(C)C=C(c2c(N)n[nH]c2C(F)(F)F)CC(C)(C)C1.
What is the InChIKey of methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is NHKVPQNUFYOFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3.CH4/c1-12(2)5-8(6-13(3,4)7-12)9-10(14(15,16)17)19-20-11(9)18;/h5H,6-7H2,1-4H3,(H3,18,19,20);1H4.
What are the key properties of methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 303.37 g/mol, XLogP of 4.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 171789308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).