5-dodecyl-4-methyl-1H-pyrazole

C16H30N2 — CID 173176780

IUPAC5-dodecyl-4-methyl-1H-pyrazole
SMILESCCCCCCCCCCCCc1[nH]ncc1C
InChIInChI=1S/C16H30N2/c1-3-4-5-6-7-8-9-10-11-12-13-16-15(2)14-17-18-16/h14H,3-13H2,1-2H3,(H,17,18)
InChIKeyWWXMTHSSKINVGV-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.18
Rot. Bonds11

About 5-dodecyl-4-methyl-1H-pyrazole

5-dodecyl-4-methyl-1H-pyrazole (PubChem CID 173176780) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 5-dodecyl-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-dodecyl-4-methyl-1H-pyrazole
PubChem CID173176780
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name5-dodecyl-4-methyl-1H-pyrazole
SMILESCCCCCCCCCCCCc1[nH]ncc1C
InChIInChI=1S/C16H30N2/c1-3-4-5-6-7-8-9-10-11-12-13-16-15(2)14-17-18-16/h14H,3-13H2,1-2H3,(H,17,18)
InChIKeyWWXMTHSSKINVGV-UHFFFAOYSA-N
XLogP5.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dihexyl-1H-pyrazole;hydrobromide
CID 174859356
4,5-dipentyl-1H-pyrazole
CID 66669086
N-chloro-5-pentyl-1H-pyrazol-4-amine
CID 88845700
5-butyl-4-ethyl-1H-pyrazole
CID 147341447
4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine
CID 82416782
4-pentyl-5-prop-2-enyl-1H-pyrazole
CID 174864439
5-(ethoxymethyl)-4-methyl-1H-pyrazole
CID 166123228
4,5-dipentyl-1H-pyridazin-6-one
CID 174602267
3,4,5-trihexyl-1H-pyrazole
CID 139676560
3,4,5-trioctyl-1H-pyrazole
CID 139676561
N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
3-decyl-4-methyl-2H-indazole
CID 173177017

Frequently Asked Questions

What is the IUPAC name of 5-dodecyl-4-methyl-1H-pyrazole?
The IUPAC name of 5-dodecyl-4-methyl-1H-pyrazole (CID 173176780) is 5-dodecyl-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-dodecyl-4-methyl-1H-pyrazole?
The canonical SMILES for 5-dodecyl-4-methyl-1H-pyrazole is CCCCCCCCCCCCc1[nH]ncc1C.
What is the InChIKey of 5-dodecyl-4-methyl-1H-pyrazole?
The InChIKey is WWXMTHSSKINVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-4-5-6-7-8-9-10-11-12-13-16-15(2)14-17-18-16/h14H,3-13H2,1-2H3,(H,17,18).
What are the key properties of 5-dodecyl-4-methyl-1H-pyrazole?
5-dodecyl-4-methyl-1H-pyrazole has a molecular weight of 250.43 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecyl-4-methyl-1H-pyrazole is sourced from PubChem (CID 173176780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).