N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine

C17H21N3 — CID 56704242

IUPACN-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
SMILESC=Cc1cccc(CN(Cc2cnn(C)c2)C2CC2)c1
InChIInChI=1S/C17H21N3/c1-3-14-5-4-6-15(9-14)12-20(17-7-8-17)13-16-10-18-19(2)11-16/h3-6,9-11,17H,1,7-8,12-13H2,2H3
InChIKeyUAOMXTHCMFYLHV-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.23
Rot. Bonds6

About N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine

N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 56704242) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID56704242
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
SMILESC=Cc1cccc(CN(Cc2cnn(C)c2)C2CC2)c1
InChIInChI=1S/C17H21N3/c1-3-14-5-4-6-15(9-14)12-20(17-7-8-17)13-16-10-18-19(2)11-16/h3-6,9-11,17H,1,7-8,12-13H2,2H3
InChIKeyUAOMXTHCMFYLHV-UHFFFAOYSA-N
XLogP3.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine (CID 56704242) is N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine is C=Cc1cccc(CN(Cc2cnn(C)c2)C2CC2)c1.
What is the InChIKey of N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is UAOMXTHCMFYLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-14-5-4-6-15(9-14)12-20(17-7-8-17)13-16-10-18-19(2)11-16/h3-6,9-11,17H,1,7-8,12-13H2,2H3.
What are the key properties of N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 267.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethenylphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 56704242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).