N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine

C15H19N3 — CID 79485255

IUPACN-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(-c2[nH]ncc2CNC2CC2)c1
InChIInChI=1S/C15H19N3/c1-10-3-4-11(2)14(7-10)15-12(9-17-18-15)8-16-13-5-6-13/h3-4,7,9,13,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyBYNXUWXHJZBLIX-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.95
Rot. Bonds4

About N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine

N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 79485255) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID79485255
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(-c2[nH]ncc2CNC2CC2)c1
InChIInChI=1S/C15H19N3/c1-10-3-4-11(2)14(7-10)15-12(9-17-18-15)8-16-13-5-6-13/h3-4,7,9,13,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyBYNXUWXHJZBLIX-UHFFFAOYSA-N
XLogP2.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine (CID 79485255) is N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine is Cc1ccc(C)c(-c2[nH]ncc2CNC2CC2)c1.
What is the InChIKey of N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is BYNXUWXHJZBLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-3-4-11(2)14(7-10)15-12(9-17-18-15)8-16-13-5-6-13/h3-4,7,9,13,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 241.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79485255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).