3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine

C16H23N3 — CID 79220500

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H23N3/c1-4-17-12-8-11-16-13(2)18-19(14(16)3)15-9-6-5-7-10-15/h5-7,9-10,17H,4,8,11-12H2,1-3H3
InChIKeyKPRJBTAAPAUYRS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.03
Rot. Bonds6

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine (PubChem CID 79220500) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
PubChem CID79220500
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H23N3/c1-4-17-12-8-11-16-13(2)18-19(14(16)3)15-9-6-5-7-10-15/h5-7,9-10,17H,4,8,11-12H2,1-3H3
InChIKeyKPRJBTAAPAUYRS-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.03
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-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 79219367
3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 79218619
3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225272
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine
CID 43406597
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79225621
N-[(3-methyl-1-phenyl-5-propylpyrazol-4-yl)methyl]butan-1-amine
CID 20721175
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107303026
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
CID 110717337
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639387
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
3-[1-(5-bromo-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225163

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine (CID 79220500) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine is CCNCCCc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine?
The InChIKey is KPRJBTAAPAUYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-17-12-8-11-16-13(2)18-19(14(16)3)15-9-6-5-7-10-15/h5-7,9-10,17H,4,8,11-12H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.03, 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-phenylpyrazol-4-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79220500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).