[5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol

C9H7ClF2N4O — CID 79822912

IUPAC[5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol
SMILESOCc1c(C(F)F)nn(-c2ccncn2)c1Cl
InChIInChI=1S/C9H7ClF2N4O/c10-8-5(3-17)7(9(11)12)15-16(8)6-1-2-13-4-14-6/h1-2,4,9,17H,3H2
InChIKeySGIOTCBLUYKIQD-UHFFFAOYSA-N
MW260.63 g/mol
LogP1.75
Rot. Bonds3

About [5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol

[5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol (PubChem CID 79822912) has the molecular formula C9H7ClF2N4O and a molecular weight of 260.63 g/mol. Its IUPAC name is [5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol
PubChem CID79822912
Molecular FormulaC9H7ClF2N4O
Molecular Weight260.63 g/mol
Exact Mass260.03
IUPAC Name[5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol
SMILESOCc1c(C(F)F)nn(-c2ccncn2)c1Cl
InChIInChI=1S/C9H7ClF2N4O/c10-8-5(3-17)7(9(11)12)15-16(8)6-1-2-13-4-14-6/h1-2,4,9,17H,3H2
InChIKeySGIOTCBLUYKIQD-UHFFFAOYSA-N
XLogP1.75
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.63
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol (CID 79822912) is [5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol is OCc1c(C(F)F)nn(-c2ccncn2)c1Cl.
What is the InChIKey of [5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol?
The InChIKey is SGIOTCBLUYKIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N4O/c10-8-5(3-17)7(9(11)12)15-16(8)6-1-2-13-4-14-6/h1-2,4,9,17H,3H2.
What are the key properties of [5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol?
[5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol has a molecular weight of 260.63 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 79822912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).