N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine

C16H21N3 — CID 79484471

IUPACN-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(-c2nn(C)cc2CNC2CC2)c1
InChIInChI=1S/C16H21N3/c1-11-6-12(2)8-13(7-11)16-14(10-19(3)18-16)9-17-15-4-5-15/h6-8,10,15,17H,4-5,9H2,1-3H3
InChIKeyDSVCILPBUFEVFA-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.96
Rot. Bonds4

About N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine

N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 79484471) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID79484471
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(-c2nn(C)cc2CNC2CC2)c1
InChIInChI=1S/C16H21N3/c1-11-6-12(2)8-13(7-11)16-14(10-19(3)18-16)9-17-15-4-5-15/h6-8,10,15,17H,4-5,9H2,1-3H3
InChIKeyDSVCILPBUFEVFA-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine (CID 79484471) is N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine is Cc1cc(C)cc(-c2nn(C)cc2CNC2CC2)c1.
What is the InChIKey of N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is DSVCILPBUFEVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-6-12(2)8-13(7-11)16-14(10-19(3)18-16)9-17-15-4-5-15/h6-8,10,15,17H,4-5,9H2,1-3H3.
What are the key properties of N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 255.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79484471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).