1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H20F3N3 — CID 64754448

IUPAC1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCn1cc(C2(N)CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H20F3N3/c1-2-7-19-9-11(8-18-19)12(17)5-3-10(4-6-12)13(14,15)16/h8-10H,2-7,17H2,1H3
InChIKeySEWHQWMTBOEQJC-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.20
Rot. Bonds3

About 1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754448) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754448
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCn1cc(C2(N)CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H20F3N3/c1-2-7-19-9-11(8-18-19)12(17)5-3-10(4-6-12)13(14,15)16/h8-10H,2-7,17H2,1H3
InChIKeySEWHQWMTBOEQJC-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754448) is 1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CCCn1cc(C2(N)CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of 1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is SEWHQWMTBOEQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-2-7-19-9-11(8-18-19)12(17)5-3-10(4-6-12)13(14,15)16/h8-10H,2-7,17H2,1H3.
What are the key properties of 1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).