1-(2-propylpyrazol-3-yl)hexan-1-amine

C12H23N3 — CID 115857677

IUPAC1-(2-propylpyrazol-3-yl)hexan-1-amine
SMILESCCCCCC(N)c1ccnn1CCC
InChIInChI=1S/C12H23N3/c1-3-5-6-7-11(13)12-8-9-14-15(12)10-4-2/h8-9,11H,3-7,10,13H2,1-2H3
InChIKeyJDNSMNVRDUQZCU-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.87
Rot. Bonds7

About 1-(2-propylpyrazol-3-yl)hexan-1-amine

1-(2-propylpyrazol-3-yl)hexan-1-amine (PubChem CID 115857677) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(2-propylpyrazol-3-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(2-propylpyrazol-3-yl)hexan-1-amine
PubChem CID115857677
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(2-propylpyrazol-3-yl)hexan-1-amine
SMILESCCCCCC(N)c1ccnn1CCC
InChIInChI=1S/C12H23N3/c1-3-5-6-7-11(13)12-8-9-14-15(12)10-4-2/h8-9,11H,3-7,10,13H2,1-2H3
InChIKeyJDNSMNVRDUQZCU-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.87
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

4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104
2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63977023
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate
CID 104939468
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113
1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148342
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpyrazol-3-yl)hexan-1-amine?
The IUPAC name of 1-(2-propylpyrazol-3-yl)hexan-1-amine (CID 115857677) is 1-(2-propylpyrazol-3-yl)hexan-1-amine.
What is the SMILES notation for 1-(2-propylpyrazol-3-yl)hexan-1-amine?
The canonical SMILES for 1-(2-propylpyrazol-3-yl)hexan-1-amine is CCCCCC(N)c1ccnn1CCC.
What is the InChIKey of 1-(2-propylpyrazol-3-yl)hexan-1-amine?
The InChIKey is JDNSMNVRDUQZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-5-6-7-11(13)12-8-9-14-15(12)10-4-2/h8-9,11H,3-7,10,13H2,1-2H3.
What are the key properties of 1-(2-propylpyrazol-3-yl)hexan-1-amine?
1-(2-propylpyrazol-3-yl)hexan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpyrazol-3-yl)hexan-1-amine is sourced from PubChem (CID 115857677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).