1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine

C14H23N3 — CID 105181368

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1cnn(C)c1C
InChIInChI=1S/C14H23N3/c1-5-7-8-9-14(15-10-6-2)13-11-16-17(4)12(13)3/h11,14-15H,6,8-10H2,1-4H3
InChIKeyWPZQTGUVBZZHCK-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.57
Rot. Bonds6

About 1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine

1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine (PubChem CID 105181368) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine
PubChem CID105181368
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1cnn(C)c1C
InChIInChI=1S/C14H23N3/c1-5-7-8-9-14(15-10-6-2)13-11-16-17(4)12(13)3/h11,14-15H,6,8-10H2,1-4H3
InChIKeyWPZQTGUVBZZHCK-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-3-ethyl-N-propylpentan-1-amine
CID 105176674
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105151550
methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
CID 79595786
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105171430
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107339
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
N-[2-(4-bromothiophen-2-yl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105139141
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
CID 105037317
1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine
CID 105161099
N-[2-(3-bromo-4-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105111304
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine (CID 105181368) is 1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine is CC#CCCC(NCCC)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine?
The InChIKey is WPZQTGUVBZZHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-7-8-9-14(15-10-6-2)13-11-16-17(4)12(13)3/h11,14-15H,6,8-10H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine?
1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine is sourced from PubChem (CID 105181368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).