4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole

C12H11ClN2 — CID 126673050

IUPAC4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
SMILESClc1cccc(-c2cn[nH]c2C2CC2)c1
InChIInChI=1S/C12H11ClN2/c13-10-3-1-2-9(6-10)11-7-14-15-12(11)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyLREDSSVGUKUCBZ-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.61
Rot. Bonds2

About 4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole

4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole (PubChem CID 126673050) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
PubChem CID126673050
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
SMILESClc1cccc(-c2cn[nH]c2C2CC2)c1
InChIInChI=1S/C12H11ClN2/c13-10-3-1-2-9(6-10)11-7-14-15-12(11)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyLREDSSVGUKUCBZ-UHFFFAOYSA-N
XLogP3.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole?
The IUPAC name of 4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole (CID 126673050) is 4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole.
What is the SMILES notation for 4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole?
The canonical SMILES for 4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole is Clc1cccc(-c2cn[nH]c2C2CC2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole?
The InChIKey is LREDSSVGUKUCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-10-3-1-2-9(6-10)11-7-14-15-12(11)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15).
What are the key properties of 4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole?
4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole has a molecular weight of 218.69 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole is sourced from PubChem (CID 126673050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).