4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

C17H20F3N5 — CID 171789366

IUPAC4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCCC1CC=C(c2c(C(F)(F)F)nn(-c3ncccn3)c2N)CC1
InChIInChI=1S/C17H20F3N5/c1-2-4-11-5-7-12(8-6-11)13-14(17(18,19)20)24-25(15(13)21)16-22-9-3-10-23-16/h3,7,9-11H,2,4-6,8,21H2,1H3
InChIKeyIKPWYEHAPOWCRF-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.25
Rot. Bonds4

About 4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789366) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is 4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789366
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC Name4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCCC1CC=C(c2c(C(F)(F)F)nn(-c3ncccn3)c2N)CC1
InChIInChI=1S/C17H20F3N5/c1-2-4-11-5-7-12(8-6-11)13-14(17(18,19)20)24-25(15(13)21)16-22-9-3-10-23-16/h3,7,9-11H,2,4-6,8,21H2,1H3
InChIKeyIKPWYEHAPOWCRF-UHFFFAOYSA-N
XLogP4.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 171789366) is 4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is CCCC1CC=C(c2c(C(F)(F)F)nn(-c3ncccn3)c2N)CC1.
What is the InChIKey of 4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is IKPWYEHAPOWCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5/c1-2-4-11-5-7-12(8-6-11)13-14(17(18,19)20)24-25(15(13)21)16-22-9-3-10-23-16/h3,7,9-11H,2,4-6,8,21H2,1H3.
What are the key properties of 4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 351.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).