N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine

C15H17ClFN3 — CID 56700800

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCn1cc(CN(Cc2ccc(Cl)cc2F)C2CC2)cn1
InChIInChI=1S/C15H17ClFN3/c1-19-8-11(7-18-19)9-20(14-4-5-14)10-12-2-3-13(16)6-15(12)17/h2-3,6-8,14H,4-5,9-10H2,1H3
InChIKeyWSMNSXAZSKWREU-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.38
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine

N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 56700800) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID56700800
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCn1cc(CN(Cc2ccc(Cl)cc2F)C2CC2)cn1
InChIInChI=1S/C15H17ClFN3/c1-19-8-11(7-18-19)9-20(14-4-5-14)10-12-2-3-13(16)6-15(12)17/h2-3,6-8,14H,4-5,9-10H2,1H3
InChIKeyWSMNSXAZSKWREU-UHFFFAOYSA-N
XLogP3.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 74244749
N-[2-(4-chloropyrazol-1-yl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 91829151
2-[(4-chloro-2-fluorophenyl)methyl-cyclopropylamino]acetic acid
CID 114850884
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
3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 72929949
4-chloro-2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 114846489
3-[(4-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanethioamide
CID 114849123
4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
CID 110929708
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine (CID 56700800) is N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine is Cn1cc(CN(Cc2ccc(Cl)cc2F)C2CC2)cn1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is WSMNSXAZSKWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-19-8-11(7-18-19)9-20(14-4-5-14)10-12-2-3-13(16)6-15(12)17/h2-3,6-8,14H,4-5,9-10H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 293.77 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 56700800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).