1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole

C13H14F2N2 — CID 70850602

IUPAC1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole
SMILESCCCc1cnn(Cc2ccc(F)cc2F)c1
InChIInChI=1S/C13H14F2N2/c1-2-3-10-7-16-17(8-10)9-11-4-5-12(14)6-13(11)15/h4-8H,2-3,9H2,1H3
InChIKeyAQYZKSRTZWKGSC-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.16
Rot. Bonds4

About 1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole

1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole (PubChem CID 70850602) has the molecular formula C13H14F2N2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole
PubChem CID70850602
Molecular FormulaC13H14F2N2
Molecular Weight236.27 g/mol
Exact Mass236.11
IUPAC Name1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole
SMILESCCCc1cnn(Cc2ccc(F)cc2F)c1
InChIInChI=1S/C13H14F2N2/c1-2-3-10-7-16-17(8-10)9-11-4-5-12(14)6-13(11)15/h4-8H,2-3,9H2,1H3
InChIKeyAQYZKSRTZWKGSC-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole (CID 70850602) is 1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole is CCCc1cnn(Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole?
The InChIKey is AQYZKSRTZWKGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-2-3-10-7-16-17(8-10)9-11-4-5-12(14)6-13(11)15/h4-8H,2-3,9H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole?
1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole has a molecular weight of 236.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-4-propylpyrazole is sourced from PubChem (CID 70850602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).