(2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol

C7H8F2N2O — CID 57299547

IUPAC(2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol
SMILESOC(c1ccn[nH]1)C1CC1(F)F
InChIInChI=1S/C7H8F2N2O/c8-7(9)3-4(7)6(12)5-1-2-10-11-5/h1-2,4,6,12H,3H2,(H,10,11)
InChIKeyOVNIGERQSDARNL-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.10
Rot. Bonds2

About (2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol

(2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol (PubChem CID 57299547) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol
PubChem CID57299547
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name(2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol
SMILESOC(c1ccn[nH]1)C1CC1(F)F
InChIInChI=1S/C7H8F2N2O/c8-7(9)3-4(7)6(12)5-1-2-10-11-5/h1-2,4,6,12H,3H2,(H,10,11)
InChIKeyOVNIGERQSDARNL-UHFFFAOYSA-N
XLogP1.10
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol?
The IUPAC name of (2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol (CID 57299547) is (2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol.
What is the SMILES notation for (2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol?
The canonical SMILES for (2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol is OC(c1ccn[nH]1)C1CC1(F)F.
What is the InChIKey of (2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol?
The InChIKey is OVNIGERQSDARNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)3-4(7)6(12)5-1-2-10-11-5/h1-2,4,6,12H,3H2,(H,10,11).
What are the key properties of (2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol?
(2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol has a molecular weight of 174.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-(1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 57299547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).