1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole

C16H30N2 — CID 143471684

IUPAC1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole
SMILESCCCCCC(CCC)c1cc(C(C)C)nn1C
InChIInChI=1S/C16H30N2/c1-6-8-9-11-14(10-7-2)16-12-15(13(3)4)17-18(16)5/h12-14H,6-11H2,1-5H3
InChIKeyDSGLMZUXRCYFEO-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.01
Rot. Bonds8

About 1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole

1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole (PubChem CID 143471684) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole
PubChem CID143471684
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole
SMILESCCCCCC(CCC)c1cc(C(C)C)nn1C
InChIInChI=1S/C16H30N2/c1-6-8-9-11-14(10-7-2)16-12-15(13(3)4)17-18(16)5/h12-14H,6-11H2,1-5H3
InChIKeyDSGLMZUXRCYFEO-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-heptan-4-yl-1,3-dimethylpyrazole
CID 143472478
1-methyl-5-tridecan-7-yl-3-(trifluoromethyl)pyrazole
CID 167093867
(1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 96738058
2-methyl-6-tetradecan-7-ylpyridazin-3-one
CID 167050006
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
1-hexyl-3-propan-2-ylpyrazole
CID 122705458
butane;hexane;1,3,5-trimethylpyrazole
CID 176922404
4-dodecan-5-yl-1-methylimidazole
CID 138655717
2-docosan-4-yl-1-pentadecan-2-ylimidazole
CID 69408577

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole?
The IUPAC name of 1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole (CID 143471684) is 1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole?
The canonical SMILES for 1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole is CCCCCC(CCC)c1cc(C(C)C)nn1C.
What is the InChIKey of 1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole?
The InChIKey is DSGLMZUXRCYFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-8-9-11-14(10-7-2)16-12-15(13(3)4)17-18(16)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole?
1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole has a molecular weight of 250.43 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole is sourced from PubChem (CID 143471684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).