1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid)

C11H9F12N3O8 — CID 161276333

IUPAC1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid)
SMILESNc1ccn[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H5N3.4C2HF3O2/c4-3-1-2-5-6-3;4*3-2(4,5)1(6)7/h1-2H,(H3,4,5,6);4*(H,6,7)
InChIKeyVEMIFWMMZOMFHC-UHFFFAOYSA-N
MW539.18 g/mol
LogP2.53
Rot. Bonds

About 1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid)

1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 161276333) has the molecular formula C11H9F12N3O8 and a molecular weight of 539.18 g/mol. Its IUPAC name is 1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid)
PubChem CID161276333
Molecular FormulaC11H9F12N3O8
Molecular Weight539.18 g/mol
Exact Mass539.02
IUPAC Name1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid)
SMILESNc1ccn[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H5N3.4C2HF3O2/c4-3-1-2-5-6-3;4*3-2(4,5)1(6)7/h1-2H,(H3,4,5,6);4*(H,6,7)
InChIKeyVEMIFWMMZOMFHC-UHFFFAOYSA-N
XLogP2.53
TPSA203.90 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.18
LogP ≤ 52.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

CID 68726267
CID 68726267
N-(pyrazol-3-yl)trifluoroacetamidine acetate
CID 68945903
1H-pyrazole;2,2,2-trifluoroacetic acid
CID 87332020
acetic acid;2,2,2-trifluoro-N'-(1H-pyrazol-5-yl)ethanimidamide
CID 87631195
1H-pyrazol-2-ium-5-amine;2,2,2-trifluoroacetate
CID 157821334
fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid
CID 174394781
oxalic acid;1H-pyrazol-5-amine
CID 66876577
carbamic acid;1H-pyrazol-5-amine
CID 67140992
carbonic acid;1H-pyrazol-5-amine
CID 69689937
N-(pyrazol-3-yl)acetamidine acetate
CID 86219607
acetic acid;1H-pyrazol-5-amine
CID 157745408
2,2-dimethylpropanoic acid;1H-pyrazol-5-amine
CID 169768056

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid) (CID 161276333) is 1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid) is Nc1ccn[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid)?
The InChIKey is VEMIFWMMZOMFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3.4C2HF3O2/c4-3-1-2-5-6-3;4*3-2(4,5)1(6)7/h1-2H,(H3,4,5,6);4*(H,6,7).
What are the key properties of 1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid)?
1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 539.18 g/mol, XLogP of 2.53, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-amine;tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 161276333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).