N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine

C17H23N3 — CID 82694815

IUPACN-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCc1cc(CC)n(-c2ccccc2CNC2CC2)n1
InChIInChI=1S/C17H23N3/c1-3-14-11-16(4-2)20(19-14)17-8-6-5-7-13(17)12-18-15-9-10-15/h5-8,11,15,18H,3-4,9-10,12H2,1-2H3
InChIKeyFWZIZIDXXXUADV-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.25
Rot. Bonds6

About N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 82694815) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID82694815
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCc1cc(CC)n(-c2ccccc2CNC2CC2)n1
InChIInChI=1S/C17H23N3/c1-3-14-11-16(4-2)20(19-14)17-8-6-5-7-13(17)12-18-15-9-10-15/h5-8,11,15,18H,3-4,9-10,12H2,1-2H3
InChIKeyFWZIZIDXXXUADV-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine (CID 82694815) is N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine is CCc1cc(CC)n(-c2ccccc2CNC2CC2)n1.
What is the InChIKey of N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is FWZIZIDXXXUADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-14-11-16(4-2)20(19-14)17-8-6-5-7-13(17)12-18-15-9-10-15/h5-8,11,15,18H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 269.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 82694815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).