2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine

C12H23N3 — CID 79621301

IUPAC2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)Cn1nccc1C
InChIInChI=1S/C12H23N3/c1-5-7-13-9-12(3,4)10-15-11(2)6-8-14-15/h6,8,13H,5,7,9-10H2,1-4H3
InChIKeyRDTFKMRIWAHGHV-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.22
Rot. Bonds6

About 2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine

2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine (PubChem CID 79621301) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine
PubChem CID79621301
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)Cn1nccc1C
InChIInChI=1S/C12H23N3/c1-5-7-13-9-12(3,4)10-15-11(2)6-8-14-15/h6,8,13H,5,7,9-10H2,1-4H3
InChIKeyRDTFKMRIWAHGHV-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.22
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

1-(2,2-dimethylpropyl)-5-methylpyrazole
CID 11858722
N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine
CID 165467071
2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine
CID 79620191
2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine
CID 79620196
2,2-dimethyl-N-propyl-3-(2-propylimidazol-1-yl)propan-1-amine
CID 79621146
2,2-dimethyl-3-(5-phenyltetrazol-2-yl)-N-propylpropan-1-amine
CID 79621138
2,2-dimethyl-3-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-1-amine
CID 64778102
ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine
CID 156847760
2,2-dimethyl-4-(5-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 65308375
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 64579635
2,2-dimethyl-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 62723929
2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62263028

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine (CID 79621301) is 2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine is CCCNCC(C)(C)Cn1nccc1C.
What is the InChIKey of 2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine?
The InChIKey is RDTFKMRIWAHGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-7-13-9-12(3,4)10-15-11(2)6-8-14-15/h6,8,13H,5,7,9-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine?
2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79621301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).