1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid

C11H8F3N3O2 — CID 84809341

IUPAC1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cnc3cc(C(F)(F)F)nn3c2)CC1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-8-15-4-6(5-17(8)16-7)10(1-2-10)9(18)19/h3-5H,1-2H2,(H,18,19)
InChIKeyDOXHXXZDIKAOBO-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.86
Rot. Bonds2

About 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid

1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid (PubChem CID 84809341) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid
PubChem CID84809341
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cnc3cc(C(F)(F)F)nn3c2)CC1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-8-15-4-6(5-17(8)16-7)10(1-2-10)9(18)19/h3-5H,1-2H2,(H,18,19)
InChIKeyDOXHXXZDIKAOBO-UHFFFAOYSA-N
XLogP1.86
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Cyclopropylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 82396959
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 82272154
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 82272219
3-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CID 84729513
2-[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CID 84729514
3-[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CID 84729515
1-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-ol
CID 84801946
1-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one
CID 84801947
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84802814
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806134
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806135
2-Amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84806528

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid (CID 84809341) is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2cnc3cc(C(F)(F)F)nn3c2)CC1.
What is the InChIKey of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid?
The InChIKey is DOXHXXZDIKAOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-8-15-4-6(5-17(8)16-7)10(1-2-10)9(18)19/h3-5H,1-2H2,(H,18,19).
What are the key properties of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid?
1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid has a molecular weight of 271.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84809341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).