N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine

C10H14F3N3O — CID 155428847

IUPACN-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1C1CCCCO1
InChIInChI=1S/C10H14F3N3O/c1-14-8-6-7(10(11,12)13)15-16(8)9-4-2-3-5-17-9/h6,9,14H,2-5H2,1H3
InChIKeyBQAHXWMSFLPPSR-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.64
Rot. Bonds2

About N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine

N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 155428847) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID155428847
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1C1CCCCO1
InChIInChI=1S/C10H14F3N3O/c1-14-8-6-7(10(11,12)13)15-16(8)9-4-2-3-5-17-9/h6,9,14H,2-5H2,1H3
InChIKeyBQAHXWMSFLPPSR-UHFFFAOYSA-N
XLogP2.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(oxan-4-yl)-1H-pyrazol-5-amine
CID 56604397
N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 123252707
2-cyclopentyl-N-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 138654787
N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 147227911
1-[2-(Oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 147846901
N-methyl-1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 149308386
1-(Oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 155247848
1-(Oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 157041597
1-(Oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 157041934
1-(Oxan-3-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 157042391
1-[2-(Methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 157042419
1-(Oxan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 166833997

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 155428847) is N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine is CNc1cc(C(F)(F)F)nn1C1CCCCO1.
What is the InChIKey of N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is BQAHXWMSFLPPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-14-8-6-7(10(11,12)13)15-16(8)9-4-2-3-5-17-9/h6,9,14H,2-5H2,1H3.
What are the key properties of N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine?
N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 249.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 155428847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).