1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine

C10H16F3N3O — CID 157042419

IUPAC1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCC(COC)Cn1nc(C(F)(F)F)cc1N
InChIInChI=1S/C10H16F3N3O/c1-3-7(6-17-2)5-16-9(14)4-8(15-16)10(11,12)13/h4,7H,3,5-6,14H2,1-2H3
InChIKeyPJISCTJDMFBEIQ-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.16
Rot. Bonds5

About 1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine

1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 157042419) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID157042419
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCC(COC)Cn1nc(C(F)(F)F)cc1N
InChIInChI=1S/C10H16F3N3O/c1-3-7(6-17-2)5-16-9(14)4-8(15-16)10(11,12)13/h4,7H,3,5-6,14H2,1-2H3
InChIKeyPJISCTJDMFBEIQ-UHFFFAOYSA-N
XLogP2.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Isobutyl-3-methyl-1H-pyrazol-5-amine
CID 19619869
3-methyl-1-(oxan-4-yl)-1H-pyrazol-5-amine
CID 56604397
3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CID 45600694
2-(2,2-Dimethyloxan-4-yl)-5-methylpyrazol-3-amine
CID 2938587
1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623304
1-(2,2-difluoroethyl)-3-methyl-1H-pyrazol-5-amine
CID 25247599
1-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 25247986
1-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 25252407
1-Pentyl-3-(trifluoromethyl)pyrazol-5-amine
CID 70407210
1-(2-Methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872620
1-Butyl-5-(trifluoromethyl)pyrazol-3-amine
CID 79873467
N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 123252707

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine (CID 157042419) is 1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine is CCC(COC)Cn1nc(C(F)(F)F)cc1N.
What is the InChIKey of 1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is PJISCTJDMFBEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-3-7(6-17-2)5-16-9(14)4-8(15-16)10(11,12)13/h4,7H,3,5-6,14H2,1-2H3.
What are the key properties of 1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine?
1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 251.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)butyl]-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 157042419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).