1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine

C15H19F2N3 — CID 62729800

IUPAC1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(Cc2cc(F)ccc2F)c1
InChIInChI=1S/C15H19F2N3/c1-3-15(18-4-2)12-8-19-20(10-12)9-11-7-13(16)5-6-14(11)17/h5-8,10,15,18H,3-4,9H2,1-2H3
InChIKeyFPLLTTWBCNQAEG-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.27
Rot. Bonds6

About 1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine

1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 62729800) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID62729800
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(Cc2cc(F)ccc2F)c1
InChIInChI=1S/C15H19F2N3/c1-3-15(18-4-2)12-8-19-20(10-12)9-11-7-13(16)5-6-14(11)17/h5-8,10,15,18H,3-4,9H2,1-2H3
InChIKeyFPLLTTWBCNQAEG-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731796
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 55109411
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 62731055
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731794
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729801
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731798
1-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 65326734
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349
N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62730873
N-ethyl-1-[1-[(5-fluoro-2-nitrophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62731244
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 63033873
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine (CID 62729800) is 1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1cnn(Cc2cc(F)ccc2F)c1.
What is the InChIKey of 1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is FPLLTTWBCNQAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-3-15(18-4-2)12-8-19-20(10-12)9-11-7-13(16)5-6-14(11)17/h5-8,10,15,18H,3-4,9H2,1-2H3.
What are the key properties of 1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 279.33 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62729800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).