3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

C13H12Cl2N2O — CID 106474844

IUPAC3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESClc1ccccc1Cn1nc2c(c1Cl)COCC2
InChIInChI=1S/C13H12Cl2N2O/c14-11-4-2-1-3-9(11)7-17-13(15)10-8-18-6-5-12(10)16-17/h1-4H,5-8H2
InChIKeyLYRXCMKUWMRRMX-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.31
Rot. Bonds2

About 3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (PubChem CID 106474844) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
PubChem CID106474844
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESClc1ccccc1Cn1nc2c(c1Cl)COCC2
InChIInChI=1S/C13H12Cl2N2O/c14-11-4-2-1-3-9(11)7-17-13(15)10-8-18-6-5-12(10)16-17/h1-4H,5-8H2
InChIKeyLYRXCMKUWMRRMX-UHFFFAOYSA-N
XLogP3.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole
CID 66016107
2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472397
N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 142062376
5-chloro-1-[(2-chlorophenyl)methyl]-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 55237713
[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol
CID 16769903
5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole
CID 66016106
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
[1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol
CID 178148741
2-[(2-bromophenyl)methyl]-4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470653
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 29213459
8-chloro-3,4-dihydro-1H-isochromene
CID 90917909

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The IUPAC name of 3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (CID 106474844) is 3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is Clc1ccccc1Cn1nc2c(c1Cl)COCC2.
What is the InChIKey of 3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The InChIKey is LYRXCMKUWMRRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-11-4-2-1-3-9(11)7-17-13(15)10-8-18-6-5-12(10)16-17/h1-4H,5-8H2.
What are the key properties of 3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole has a molecular weight of 283.16 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 106474844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).