1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine

C16H21F2N3 — CID 82926065

IUPAC1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
SMILESCCc1nn(Cc2ccc(F)c(F)c2)c(CC)c1C(C)N
InChIInChI=1S/C16H21F2N3/c1-4-14-16(10(3)19)15(5-2)21(20-14)9-11-6-7-12(17)13(18)8-11/h6-8,10H,4-5,9,19H2,1-3H3
InChIKeySHAGYIYDLCAMQV-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.35
Rot. Bonds5

About 1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine

1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine (PubChem CID 82926065) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
PubChem CID82926065
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
SMILESCCc1nn(Cc2ccc(F)c(F)c2)c(CC)c1C(C)N
InChIInChI=1S/C16H21F2N3/c1-4-14-16(10(3)19)15(5-2)21(20-14)9-11-6-7-12(17)13(18)8-11/h6-8,10H,4-5,9,19H2,1-3H3
InChIKeySHAGYIYDLCAMQV-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82934614
2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 82926189
4-(1-chloroethyl)-1-[(3-chloro-4-fluorophenyl)methyl]-3,5-diethylpyrazole
CID 103041277
4-(1-chloroethyl)-1-[(4-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazole
CID 107887246
1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
CID 82698540
1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol
CID 82698546
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol
CID 82700058
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82700096
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
CID 82696919
1-[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359676
1-[(3-bromo-5-fluorophenyl)methyl]-4-(1-chloroethyl)-3,5-diethylpyrazole
CID 82698888
4-(1-chloropropyl)-3,5-diethyl-1-[(4-iodophenyl)methyl]pyrazole
CID 82699488

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine (CID 82926065) is 1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine is CCc1nn(Cc2ccc(F)c(F)c2)c(CC)c1C(C)N.
What is the InChIKey of 1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
The InChIKey is SHAGYIYDLCAMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-4-14-16(10(3)19)15(5-2)21(20-14)9-11-6-7-12(17)13(18)8-11/h6-8,10H,4-5,9,19H2,1-3H3.
What are the key properties of 1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine has a molecular weight of 293.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 82926065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).