4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole

C10H10ClFN2 — CID 163892065

IUPAC4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C2=CC(F)CC=C2)c1Cl
InChIInChI=1S/C10H10ClFN2/c1-6-9(11)10(14-13-6)7-3-2-4-8(12)5-7/h2-3,5,8H,4H2,1H3,(H,13,14)
InChIKeyQCJQRSMMBONBOD-UHFFFAOYSA-N
MW212.66 g/mol
LogP3.05
Rot. Bonds1

About 4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole

4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole (PubChem CID 163892065) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole
PubChem CID163892065
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C2=CC(F)CC=C2)c1Cl
InChIInChI=1S/C10H10ClFN2/c1-6-9(11)10(14-13-6)7-3-2-4-8(12)5-7/h2-3,5,8H,4H2,1H3,(H,13,14)
InChIKeyQCJQRSMMBONBOD-UHFFFAOYSA-N
XLogP3.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole?
The IUPAC name of 4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole (CID 163892065) is 4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole?
The canonical SMILES for 4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole is Cc1[nH]nc(C2=CC(F)CC=C2)c1Cl.
What is the InChIKey of 4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole?
The InChIKey is QCJQRSMMBONBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c1-6-9(11)10(14-13-6)7-3-2-4-8(12)5-7/h2-3,5,8H,4H2,1H3,(H,13,14).
What are the key properties of 4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole?
4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole has a molecular weight of 212.66 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 163892065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).