[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol

C13H12Cl2N2O — CID 138471189

IUPAC[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol
SMILESOCc1[nH]nc(C2CC2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c14-8-2-1-3-9(15)11(8)12-10(6-18)16-17-13(12)7-4-5-7/h1-3,7,18H,4-6H2,(H,16,17)
InChIKeyGUFVJPDYGFSSAH-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.75
Rot. Bonds3

About [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol

[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol (PubChem CID 138471189) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol
PubChem CID138471189
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol
SMILESOCc1[nH]nc(C2CC2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c14-8-2-1-3-9(15)11(8)12-10(6-18)16-17-13(12)7-4-5-7/h1-3,7,18H,4-6H2,(H,16,17)
InChIKeyGUFVJPDYGFSSAH-UHFFFAOYSA-N
XLogP3.75
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol (CID 138471189) is [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol is OCc1[nH]nc(C2CC2)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol?
The InChIKey is GUFVJPDYGFSSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-8-2-1-3-9(15)11(8)12-10(6-18)16-17-13(12)7-4-5-7/h1-3,7,18H,4-6H2,(H,16,17).
What are the key properties of [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol?
[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol has a molecular weight of 283.16 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 138471189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).