N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine

C15H18FN3 — CID 63866539

IUPACN-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1-n1ncc(CNC2CC2)c1C
InChIInChI=1S/C15H18FN3/c1-10-7-13(16)3-6-15(10)19-11(2)12(9-18-19)8-17-14-4-5-14/h3,6-7,9,14,17H,4-5,8H2,1-2H3
InChIKeyLXJTZZGRKIVREF-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.88
Rot. Bonds4

About N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 63866539) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID63866539
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1-n1ncc(CNC2CC2)c1C
InChIInChI=1S/C15H18FN3/c1-10-7-13(16)3-6-15(10)19-11(2)12(9-18-19)8-17-14-4-5-14/h3,6-7,9,14,17H,4-5,8H2,1-2H3
InChIKeyLXJTZZGRKIVREF-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737024
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine
CID 79224024
N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485179
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43314018
N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82528297
4-(bromomethyl)-1-(2,4-difluorophenyl)-5-methylpyrazole
CID 66439230
1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 62136121
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041561
4-(bromomethyl)-1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 66439477
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 75515471

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine (CID 63866539) is N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine is Cc1cc(F)ccc1-n1ncc(CNC2CC2)c1C.
What is the InChIKey of N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is LXJTZZGRKIVREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-7-13(16)3-6-15(10)19-11(2)12(9-18-19)8-17-14-4-5-14/h3,6-7,9,14,17H,4-5,8H2,1-2H3.
What are the key properties of N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 259.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63866539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).