N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid

C13H17F3N4O3 — CID 175103240

IUPACN-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid
SMILESCNc1cnn(Cc2cnc(C(C)C)o2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N4O.C2HF3O2/c1-8(2)11-13-5-10(16-11)7-15-6-9(12-3)4-14-15;3-2(4,5)1(6)7/h4-6,8,12H,7H2,1-3H3;(H,6,7)
InChIKeyBBACZMDURGYBSO-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.72
Rot. Bonds4

About N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid

N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 175103240) has the molecular formula C13H17F3N4O3 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid
PubChem CID175103240
Molecular FormulaC13H17F3N4O3
Molecular Weight334.30 g/mol
Exact Mass334.13
IUPAC NameN-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid
SMILESCNc1cnn(Cc2cnc(C(C)C)o2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N4O.C2HF3O2/c1-8(2)11-13-5-10(16-11)7-15-6-9(12-3)4-14-15;3-2(4,5)1(6)7/h4-6,8,12H,7H2,1-3H3;(H,6,7)
InChIKeyBBACZMDURGYBSO-UHFFFAOYSA-N
XLogP2.72
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid (CID 175103240) is N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid is CNc1cnn(Cc2cnc(C(C)C)o2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is BBACZMDURGYBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.C2HF3O2/c1-8(2)11-13-5-10(16-11)7-15-6-9(12-3)4-14-15;3-2(4,5)1(6)7/h4-6,8,12H,7H2,1-3H3;(H,6,7).
What are the key properties of N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid?
N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 334.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175103240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).