3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole

C13H12Cl2N2 — CID 3832516

IUPAC3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole
SMILESClc1cccc(Cl)c1Cn1ccc(C2CC2)n1
InChIInChI=1S/C13H12Cl2N2/c14-11-2-1-3-12(15)10(11)8-17-7-6-13(16-17)9-4-5-9/h1-3,6-7,9H,4-5,8H2
InChIKeyVEZDWISOSWOBQD-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.12
Rot. Bonds3

About 3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole

3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole (PubChem CID 3832516) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole
PubChem CID3832516
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole
SMILESClc1cccc(Cl)c1Cn1ccc(C2CC2)n1
InChIInChI=1S/C13H12Cl2N2/c14-11-2-1-3-12(15)10(11)8-17-7-6-13(16-17)9-4-5-9/h1-3,6-7,9H,4-5,8H2
InChIKeyVEZDWISOSWOBQD-UHFFFAOYSA-N
XLogP4.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole?
The IUPAC name of 3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole (CID 3832516) is 3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole.
What is the SMILES notation for 3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole?
The canonical SMILES for 3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole is Clc1cccc(Cl)c1Cn1ccc(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole?
The InChIKey is VEZDWISOSWOBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c14-11-2-1-3-12(15)10(11)8-17-7-6-13(16-17)9-4-5-9/h1-3,6-7,9H,4-5,8H2.
What are the key properties of 3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole?
3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole has a molecular weight of 267.16 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole is sourced from PubChem (CID 3832516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).