N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine

C15H17F2N3 — CID 74244749

IUPACN-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCn1cc(CN(Cc2ccc(F)c(F)c2)C2CC2)cn1
InChIInChI=1S/C15H17F2N3/c1-19-8-12(7-18-19)10-20(13-3-4-13)9-11-2-5-14(16)15(17)6-11/h2,5-8,13H,3-4,9-10H2,1H3
InChIKeyCEDJWCZOEIHJKA-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.86
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine

N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 74244749) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID74244749
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCn1cc(CN(Cc2ccc(F)c(F)c2)C2CC2)cn1
InChIInChI=1S/C15H17F2N3/c1-19-8-12(7-18-19)10-20(13-3-4-13)9-11-2-5-14(16)15(17)6-11/h2,5-8,13H,3-4,9-10H2,1H3
InChIKeyCEDJWCZOEIHJKA-UHFFFAOYSA-N
XLogP2.86
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 56700800
N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 74232126
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
CID 110929708
4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79116008
N-[[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 46983902
N-[2-(4-chloropyrazol-1-yl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 91829151
3,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 47062356
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 77093844
N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62127404
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
4-(aminomethyl)-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61438186

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine (CID 74244749) is N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine is Cn1cc(CN(Cc2ccc(F)c(F)c2)C2CC2)cn1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is CEDJWCZOEIHJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-19-8-12(7-18-19)10-20(13-3-4-13)9-11-2-5-14(16)15(17)6-11/h2,5-8,13H,3-4,9-10H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 277.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 74244749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).