N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine

C15H17F2N3 — CID 63076994

IUPACN-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
SMILESCc1cc(C)n(-c2c(F)cc(CNC3CC3)cc2F)n1
InChIInChI=1S/C15H17F2N3/c1-9-5-10(2)20(19-9)15-13(16)6-11(7-14(15)17)8-18-12-3-4-12/h5-7,12,18H,3-4,8H2,1-2H3
InChIKeyAGNMPZJIBPPIQP-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.02
Rot. Bonds4

About N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine

N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine (PubChem CID 63076994) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
PubChem CID63076994
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
SMILESCc1cc(C)n(-c2c(F)cc(CNC3CC3)cc2F)n1
InChIInChI=1S/C15H17F2N3/c1-9-5-10(2)20(19-9)15-13(16)6-11(7-14(15)17)8-18-12-3-4-12/h5-7,12,18H,3-4,8H2,1-2H3
InChIKeyAGNMPZJIBPPIQP-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine
CID 43282151
[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol
CID 63076539
N-[[4-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254175
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63051584
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609
N-[[3,5-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]cyclopropanamine
CID 66371335
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 103131603
N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine
CID 59494382
2,6-difluoro-4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 113251438
N-[[3-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 106533506

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine (CID 63076994) is N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine is Cc1cc(C)n(-c2c(F)cc(CNC3CC3)cc2F)n1.
What is the InChIKey of N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine?
The InChIKey is AGNMPZJIBPPIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-9-5-10(2)20(19-9)15-13(16)6-11(7-14(15)17)8-18-12-3-4-12/h5-7,12,18H,3-4,8H2,1-2H3.
What are the key properties of N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine?
N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine has a molecular weight of 277.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63076994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).