3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid

C10H15F3N4O2 — CID 175979510

IUPAC3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCn1nccc1CC1(N)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N4.C2HF3O2/c1-12-7(2-3-11-12)4-8(9)5-10-6-8;3-2(4,5)1(6)7/h2-3,10H,4-6,9H2,1H3;(H,6,7)
InChIKeyGSLAAUPZLGHQHK-UHFFFAOYSA-N
MW280.25 g/mol
LogP-0.10
Rot. Bonds2

About 3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid

3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 175979510) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID175979510
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCn1nccc1CC1(N)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N4.C2HF3O2/c1-12-7(2-3-11-12)4-8(9)5-10-6-8;3-2(4,5)1(6)7/h2-3,10H,4-6,9H2,1H3;(H,6,7)
InChIKeyGSLAAUPZLGHQHK-UHFFFAOYSA-N
XLogP-0.10
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azetidin-3-yl)-1H-pyrazole; trifluoroacetic acid
CID 137964041
4-(2-Methyl-2h-pyrazol-3-yl)piperidine trifluoroacetic acid salt
CID 69444558
1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine;2,2,2-trifluoroacetic acid
CID 90460399
tert-butyl N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]carbamate
CID 166163807
(S)-1-(1-(Difluoromethyl)-1H-pyrazol-5-yl)-2-methylpropan-1-amine
CID 166163838
2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine
CID 166163885
tert-butyl N-[(1S)-1-[2-(difluoromethyl)pyrazol-3-yl]-2-methylpropyl]carbamate
CID 166163936
1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine
CID 167249911
1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine
CID 167249912
[(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropyl]carbamic acid
CID 172703289
[(1S)-1-[2-(difluoromethyl)pyrazol-3-yl]ethyl]carbamic acid
CID 172787933
1-[2-(Difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 175530522

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid (CID 175979510) is 3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid is Cn1nccc1CC1(N)CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GSLAAUPZLGHQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.C2HF3O2/c1-12-7(2-3-11-12)4-8(9)5-10-6-8;3-2(4,5)1(6)7/h2-3,10H,4-6,9H2,1H3;(H,6,7).
What are the key properties of 3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid?
3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 280.25 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrazol-3-yl)methyl]azetidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175979510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).