1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine

C12H23N3 — CID 105126212

IUPAC1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
SMILESCCCCCCC(N)c1cnn(C)c1C
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-12(13)11-9-14-15(3)10(11)2/h9,12H,4-8,13H2,1-3H3
InChIKeyMDNCWNSCMWTWNN-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.70
Rot. Bonds6

About 1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine

1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine (PubChem CID 105126212) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
PubChem CID105126212
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
SMILESCCCCCCC(N)c1cnn(C)c1C
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-12(13)11-9-14-15(3)10(11)2/h9,12H,4-8,13H2,1-3H3
InChIKeyMDNCWNSCMWTWNN-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 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 ≤ 52.70
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-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 105156405
1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine
CID 105153472
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine
CID 105108352
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79584948
1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine
CID 105112423
1-(5-methoxy-1-methylpyrazol-4-yl)butan-1-amine
CID 82407086
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine (CID 105126212) is 1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine is CCCCCCC(N)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine?
The InChIKey is MDNCWNSCMWTWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-5-6-7-8-12(13)11-9-14-15(3)10(11)2/h9,12H,4-8,13H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine?
1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.70, 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)heptan-1-amine is sourced from PubChem (CID 105126212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).