(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine

C14H22F3N3 — CID 105103841

IUPAC(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCCn1cc(C(N)C2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C14H22F3N3/c1-2-7-20-9-10(8-19-20)13(18)11-5-3-4-6-12(11)14(15,16)17/h8-9,11-13H,2-7,18H2,1H3
InChIKeyPWRWWKUNTZUXJZ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.66
Rot. Bonds4

About (1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine

(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105103841) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105103841
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCCn1cc(C(N)C2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C14H22F3N3/c1-2-7-20-9-10(8-19-20)13(18)11-5-3-4-6-12(11)14(15,16)17/h8-9,11-13H,2-7,18H2,1H3
InChIKeyPWRWWKUNTZUXJZ-UHFFFAOYSA-N
XLogP3.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine
CID 115807334
(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808146
oxolan-2-yl-(1-propylpyrazol-4-yl)methanamine
CID 65331147
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
(1,1-dioxothiolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115336541
2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105114039
cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105103598
N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105104088
1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 80603467
(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115807748
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105103841) is (1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine is CCCn1cc(C(N)C2CCCCC2C(F)(F)F)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is PWRWWKUNTZUXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-2-7-20-9-10(8-19-20)13(18)11-5-3-4-6-12(11)14(15,16)17/h8-9,11-13H,2-7,18H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 289.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105103841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).