1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid)

C15H14F6N4O4 — CID 87429266

IUPAC1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1(c2ccc(-n3cccn3)cn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H12N4.2C2HF3O2/c12-11(4-5-11)10-3-2-9(8-13-10)15-7-1-6-14-15;2*3-2(4,5)1(6)7/h1-3,6-8H,4-5,12H2;2*(H,6,7)
InChIKeyMZTZGEDLPGUJLJ-UHFFFAOYSA-N
MW428.29 g/mol
LogP2.48
Rot. Bonds2

About 1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid)

1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87429266) has the molecular formula C15H14F6N4O4 and a molecular weight of 428.29 g/mol. Its IUPAC name is 1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87429266
Molecular FormulaC15H14F6N4O4
Molecular Weight428.29 g/mol
Exact Mass428.09
IUPAC Name1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1(c2ccc(-n3cccn3)cn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H12N4.2C2HF3O2/c12-11(4-5-11)10-3-2-9(8-13-10)15-7-1-6-14-15;2*3-2(4,5)1(6)7/h1-3,6-8H,4-5,12H2;2*(H,6,7)
InChIKeyMZTZGEDLPGUJLJ-UHFFFAOYSA-N
XLogP2.48
TPSA131.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid) (CID 87429266) is 1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid) is NC1(c2ccc(-n3cccn3)cn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is MZTZGEDLPGUJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4.2C2HF3O2/c12-11(4-5-11)10-3-2-9(8-13-10)15-7-1-6-14-15;2*3-2(4,5)1(6)7/h1-3,6-8H,4-5,12H2;2*(H,6,7).
What are the key properties of 1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid)?
1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 428.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrazol-1-yl-2-pyridinyl)cyclopropan-1-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87429266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).