1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine

C14H16F3N3O — CID 117217975

IUPAC1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine
SMILESCC(C)n1ncc(N)c1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-9(2)20-13(12(18)7-19-20)8-21-11-5-3-10(4-6-11)14(15,16)17/h3-7,9H,8,18H2,1-2H3
InChIKeyGPCPGJNSCRRGJB-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.64
Rot. Bonds4

About 1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine

1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine (PubChem CID 117217975) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine
PubChem CID117217975
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine
SMILESCC(C)n1ncc(N)c1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-9(2)20-13(12(18)7-19-20)8-21-11-5-3-10(4-6-11)14(15,16)17/h3-7,9H,8,18H2,1-2H3
InChIKeyGPCPGJNSCRRGJB-UHFFFAOYSA-N
XLogP3.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine?
The IUPAC name of 1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine (CID 117217975) is 1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine?
The canonical SMILES for 1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine is CC(C)n1ncc(N)c1COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine?
The InChIKey is GPCPGJNSCRRGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9(2)20-13(12(18)7-19-20)8-21-11-5-3-10(4-6-11)14(15,16)17/h3-7,9H,8,18H2,1-2H3.
What are the key properties of 1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine?
1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine has a molecular weight of 299.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine is sourced from PubChem (CID 117217975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).