3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine

C17H25N3 — CID 79219367

IUPAC3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C17H25N3/c1-5-18-12-6-7-17-14(3)19-20(15(17)4)16-10-8-13(2)9-11-16/h8-11,18H,5-7,12H2,1-4H3
InChIKeyVDSKLMOZTXQADM-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.34
Rot. Bonds6

About 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine

3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 79219367) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID79219367
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C17H25N3/c1-5-18-12-6-7-17-14(3)19-20(15(17)4)16-10-8-13(2)9-11-16/h8-11,18H,5-7,12H2,1-4H3
InChIKeyVDSKLMOZTXQADM-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220500
3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 79218619
2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]ethanethiol
CID 143475775
3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225272
2-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79225696
3-[1-(5-bromo-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225163
2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79225621
N-[[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 84760401
3-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79219688
N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63173161
N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine
CID 43406597

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine (CID 79219367) is 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine is CCNCCCc1c(C)nn(-c2ccc(C)cc2)c1C.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is VDSKLMOZTXQADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-18-12-6-7-17-14(3)19-20(15(17)4)16-10-8-13(2)9-11-16/h8-11,18H,5-7,12H2,1-4H3.
What are the key properties of 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 79219367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).