1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid

C8H8F2N2O2 — CID 146021364

IUPAC1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)c2ccn[nH]2)CC1
InChIInChI=1S/C8H8F2N2O2/c9-8(10,5-1-4-11-12-5)7(2-3-7)6(13)14/h1,4H,2-3H2,(H,11,12)(H,13,14)
InChIKeyMWTBHYQHWXHEJA-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.37
Rot. Bonds3

About 1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid

1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 146021364) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID146021364
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)c2ccn[nH]2)CC1
InChIInChI=1S/C8H8F2N2O2/c9-8(10,5-1-4-11-12-5)7(2-3-7)6(13)14/h1,4H,2-3H2,(H,11,12)(H,13,14)
InChIKeyMWTBHYQHWXHEJA-UHFFFAOYSA-N
XLogP1.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid (CID 146021364) is 1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(F)(F)c2ccn[nH]2)CC1.
What is the InChIKey of 1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is MWTBHYQHWXHEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-8(10,5-1-4-11-12-5)7(2-3-7)6(13)14/h1,4H,2-3H2,(H,11,12)(H,13,14).
What are the key properties of 1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid?
1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 202.16 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(1H-pyrazol-5-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 146021364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).