4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole

C13H14F2N2 — CID 167892385

IUPAC4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole
SMILESCc1cccc(CCn2cc(C(F)F)cn2)c1
InChIInChI=1S/C13H14F2N2/c1-10-3-2-4-11(7-10)5-6-17-9-12(8-16-17)13(14)15/h2-4,7-9,13H,5-6H2,1H3
InChIKeyCNBJVSPDTZTYDZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.37
Rot. Bonds4

About 4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole

4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole (PubChem CID 167892385) has the molecular formula C13H14F2N2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole.

Molecular Properties

Compound Name4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole
PubChem CID167892385
Molecular FormulaC13H14F2N2
Molecular Weight236.27 g/mol
Exact Mass236.11
IUPAC Name4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole
SMILESCc1cccc(CCn2cc(C(F)F)cn2)c1
InChIInChI=1S/C13H14F2N2/c1-10-3-2-4-11(7-10)5-6-17-9-12(8-16-17)13(14)15/h2-4,7-9,13H,5-6H2,1H3
InChIKeyCNBJVSPDTZTYDZ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 105104098
4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
CID 103871923
4-(1-chloroethyl)-1-(2-phenylethyl)pyrazole
CID 62729657
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62729897
1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol
CID 62731819
N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810
2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine
CID 84731494
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol
CID 134820997
1-[2-[(3-methylphenyl)methylsulfanyl]ethyl]pyrazol-4-amine
CID 62771615
5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole
CID 66151874

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole?
The IUPAC name of 4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole (CID 167892385) is 4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole.
What is the SMILES notation for 4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole?
The canonical SMILES for 4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole is Cc1cccc(CCn2cc(C(F)F)cn2)c1.
What is the InChIKey of 4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole?
The InChIKey is CNBJVSPDTZTYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-10-3-2-4-11(7-10)5-6-17-9-12(8-16-17)13(14)15/h2-4,7-9,13H,5-6H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole?
4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole has a molecular weight of 236.27 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole is sourced from PubChem (CID 167892385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).