N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine

C18H25N3 — CID 62123677

IUPACN-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCCc1c(C)nn(-c2ccc(CNC3CC3)cc2C)c1C
InChIInChI=1S/C18H25N3/c1-5-17-13(3)20-21(14(17)4)18-9-6-15(10-12(18)2)11-19-16-7-8-16/h6,9-10,16,19H,5,7-8,11H2,1-4H3
InChIKeyIBSLVEAQUWEWAH-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.61
Rot. Bonds5

About N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine

N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 62123677) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID62123677
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCCc1c(C)nn(-c2ccc(CNC3CC3)cc2C)c1C
InChIInChI=1S/C18H25N3/c1-5-17-13(3)20-21(14(17)4)18-9-6-15(10-12(18)2)11-19-16-7-8-16/h6,9-10,16,19H,5,7-8,11H2,1-4H3
InChIKeyIBSLVEAQUWEWAH-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine (CID 62123677) is N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine is CCc1c(C)nn(-c2ccc(CNC3CC3)cc2C)c1C.
What is the InChIKey of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is IBSLVEAQUWEWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-17-13(3)20-21(14(17)4)18-9-6-15(10-12(18)2)11-19-16-7-8-16/h6,9-10,16,19H,5,7-8,11H2,1-4H3.
What are the key properties of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 283.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62123677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).