N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine

C16H23N3 — CID 66442086

IUPACN-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccccc2C)c1C(C)C
InChIInChI=1S/C16H23N3/c1-5-17-10-14-11-18-19(16(14)12(2)3)15-9-7-6-8-13(15)4/h6-9,11-12,17H,5,10H2,1-4H3
InChIKeyNMKHREKIJKJOCE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.41
Rot. Bonds5

About N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine

N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine (PubChem CID 66442086) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
PubChem CID66442086
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccccc2C)c1C(C)C
InChIInChI=1S/C16H23N3/c1-5-17-10-14-11-18-19(16(14)12(2)3)15-9-7-6-8-13(15)4/h6-9,11-12,17H,5,10H2,1-4H3
InChIKeyNMKHREKIJKJOCE-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441481
N-[[1-(2-bromophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441924
N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441107
N-[[5-(difluoromethyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440673
N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 166222223
N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 66439681
N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66440209
N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441080
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 82293937
N-[[1-[(2-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66439602
N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441880
[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436357

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine (CID 66442086) is N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(-c2ccccc2C)c1C(C)C.
What is the InChIKey of N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is NMKHREKIJKJOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-17-10-14-11-18-19(16(14)12(2)3)15-9-7-6-8-13(15)4/h6-9,11-12,17H,5,10H2,1-4H3.
What are the key properties of N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine?
N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66442086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).