3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine

C15H21N3 — CID 107462469

IUPAC3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NCCCc1ccccc1
InChIInChI=1S/C15H21N3/c1-3-14-15(12-18(2)17-14)16-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3
InChIKeyZEAPKVDWZGLJJW-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.03
Rot. Bonds6

About 3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine

3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine (PubChem CID 107462469) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine
PubChem CID107462469
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NCCCc1ccccc1
InChIInChI=1S/C15H21N3/c1-3-14-15(12-18(2)17-14)16-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3
InChIKeyZEAPKVDWZGLJJW-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
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-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
CID 107462816
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile
CID 107462882
3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine
CID 103908973
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
N-[4-(4-bromophenyl)-1-phenylbutyl]-3-ethyl-1-methylpyrazol-4-amine
CID 166383116
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
3-ethyl-1-methyl-N-[(1-methylindol-3-yl)methyl]pyrazol-4-amine
CID 107462367
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990
3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine
CID 103909020

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine (CID 107462469) is 3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine is CCc1nn(C)cc1NCCCc1ccccc1.
What is the InChIKey of 3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine?
The InChIKey is ZEAPKVDWZGLJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-14-15(12-18(2)17-14)16-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine?
3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine has a molecular weight of 243.35 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-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine is sourced from PubChem (CID 107462469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).