1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine

C12H23N3 — CID 64773654

IUPAC1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
SMILESCCCC(N)CCc1ccn(C(C)C)n1
InChIInChI=1S/C12H23N3/c1-4-5-11(13)6-7-12-8-9-15(14-12)10(2)3/h8-11H,4-7,13H2,1-3H3
InChIKeyQTCPLGTYGLJCGY-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.52
Rot. Bonds6

About 1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine

1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine (PubChem CID 64773654) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
PubChem CID64773654
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
SMILESCCCC(N)CCc1ccn(C(C)C)n1
InChIInChI=1S/C12H23N3/c1-4-5-11(13)6-7-12-8-9-15(14-12)10(2)3/h8-11H,4-7,13H2,1-3H3
InChIKeyQTCPLGTYGLJCGY-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 64771323
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
2-(1-propan-2-ylpyrazol-3-yl)ethylhydrazine
CID 105220698
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol
CID 64801344
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154955
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105154923
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
CID 81009367
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079
[3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-yl]hydrazine
CID 105271606
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine?
The IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine (CID 64773654) is 1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine is CCCC(N)CCc1ccn(C(C)C)n1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine?
The InChIKey is QTCPLGTYGLJCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-5-11(13)6-7-12-8-9-15(14-12)10(2)3/h8-11H,4-7,13H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine?
1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine is sourced from PubChem (CID 64773654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).