1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine

C14H17F2N3 — CID 105408692

IUPAC1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cnn(Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H17F2N3/c1-3-14(17-2)11-7-18-19(9-11)8-10-4-12(15)6-13(16)5-10/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyWFVCSEVZECQMGG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.88
Rot. Bonds5

About 1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine

1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 105408692) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID105408692
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cnn(Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H17F2N3/c1-3-14(17-2)11-7-18-19(9-11)8-10-4-12(15)6-13(16)5-10/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyWFVCSEVZECQMGG-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 55109269
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 62729791
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 62731616
1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82929915
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731798
N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 82871677
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731796
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]ethanone
CID 83811631
1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729800
1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 114084623
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine (CID 105408692) is 1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine is CCC(NC)c1cnn(Cc2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is WFVCSEVZECQMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-14(17-2)11-7-18-19(9-11)8-10-4-12(15)6-13(16)5-10/h4-7,9,14,17H,3,8H2,1-2H3.
What are the key properties of 1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 105408692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).