1-hexan-2-yl-3-propan-2-ylpyrazole

C12H22N2 — CID 122705387

IUPAC1-hexan-2-yl-3-propan-2-ylpyrazole
SMILESCCCCC(C)n1ccc(C(C)C)n1
InChIInChI=1S/C12H22N2/c1-5-6-7-11(4)14-9-8-12(13-14)10(2)3/h8-11H,5-7H2,1-4H3
InChIKeyRSZKRCKUUCIXJU-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.76
Rot. Bonds5

About 1-hexan-2-yl-3-propan-2-ylpyrazole

1-hexan-2-yl-3-propan-2-ylpyrazole (PubChem CID 122705387) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-hexan-2-yl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-hexan-2-yl-3-propan-2-ylpyrazole
PubChem CID122705387
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-hexan-2-yl-3-propan-2-ylpyrazole
SMILESCCCCC(C)n1ccc(C(C)C)n1
InChIInChI=1S/C12H22N2/c1-5-6-7-11(4)14-9-8-12(13-14)10(2)3/h8-11H,5-7H2,1-4H3
InChIKeyRSZKRCKUUCIXJU-UHFFFAOYSA-N
XLogP3.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-3-propan-2-ylpyrazole
CID 66015540
1-hexyl-3-propan-2-ylpyrazole
CID 122705458
1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole
CID 169237555
1-hexan-2-ylpyrrole
CID 62200835
ethane;1-ethyl-3-propan-2-ylpyrazole
CID 143299826
1-(1-butan-2-ylpyrazol-3-yl)-3-ethyl-N-methylheptan-2-amine
CID 104989714
[1-(1-butan-2-ylpyrazol-3-yl)-3-methylheptan-2-yl]hydrazine
CID 114247274
1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine
CID 124932283
3-(4-bromohexyl)-1-butan-2-ylpyrazole
CID 64779134
1-hexan-2-yl-2-pentylpyrrole
CID 71216360
1-nonan-2-ylpyrazole
CID 121348533
6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine
CID 64778152

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-3-propan-2-ylpyrazole?
The IUPAC name of 1-hexan-2-yl-3-propan-2-ylpyrazole (CID 122705387) is 1-hexan-2-yl-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-hexan-2-yl-3-propan-2-ylpyrazole?
The canonical SMILES for 1-hexan-2-yl-3-propan-2-ylpyrazole is CCCCC(C)n1ccc(C(C)C)n1.
What is the InChIKey of 1-hexan-2-yl-3-propan-2-ylpyrazole?
The InChIKey is RSZKRCKUUCIXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-6-7-11(4)14-9-8-12(13-14)10(2)3/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-hexan-2-yl-3-propan-2-ylpyrazole?
1-hexan-2-yl-3-propan-2-ylpyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-3-propan-2-ylpyrazole is sourced from PubChem (CID 122705387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).