N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine

C17H23N3 — CID 62123320

IUPACN-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1-n1nc(C)c(C)c1C
InChIInChI=1S/C17H23N3/c1-11-9-15(10-18-16-6-7-16)5-8-17(11)20-14(4)12(2)13(3)19-20/h5,8-9,16,18H,6-7,10H2,1-4H3
InChIKeyHVCFTRNSBCCBJJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.36
Rot. Bonds4

About N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 62123320) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID62123320
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1-n1nc(C)c(C)c1C
InChIInChI=1S/C17H23N3/c1-11-9-15(10-18-16-6-7-16)5-8-17(11)20-14(4)12(2)13(3)19-20/h5,8-9,16,18H,6-7,10H2,1-4H3
InChIKeyHVCFTRNSBCCBJJ-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62123677
N-[[4-(4,4-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62932457
1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-1,2,4-triazole-3-carbonitrile
CID 55157728
N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 62287034
N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 81150635
N-[[6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 55059038
N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine
CID 79224024
N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 63552895
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62125029
N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine
CID 43282151
1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165022
N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 103535835

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine (CID 62123320) is N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)ccc1-n1nc(C)c(C)c1C.
What is the InChIKey of N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is HVCFTRNSBCCBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-9-15(10-18-16-6-7-16)5-8-17(11)20-14(4)12(2)13(3)19-20/h5,8-9,16,18H,6-7,10H2,1-4H3.
What are the key properties of N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 269.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62123320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).