2-methyl-5-nonan-4-yl-1,5-dihydropyrazole

C13H26N2 — CID 168921752

IUPAC2-methyl-5-nonan-4-yl-1,5-dihydropyrazole
SMILESCCCCCC(CCC)C1C=CN(C)N1
InChIInChI=1S/C13H26N2/c1-4-6-7-9-12(8-5-2)13-10-11-15(3)14-13/h10-14H,4-9H2,1-3H3
InChIKeyQZVWSDFRRQESIO-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.32
Rot. Bonds7

About 2-methyl-5-nonan-4-yl-1,5-dihydropyrazole

2-methyl-5-nonan-4-yl-1,5-dihydropyrazole (PubChem CID 168921752) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-methyl-5-nonan-4-yl-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-5-nonan-4-yl-1,5-dihydropyrazole
PubChem CID168921752
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-methyl-5-nonan-4-yl-1,5-dihydropyrazole
SMILESCCCCCC(CCC)C1C=CN(C)N1
InChIInChI=1S/C13H26N2/c1-4-6-7-9-12(8-5-2)13-10-11-15(3)14-13/h10-14H,4-9H2,1-3H3
InChIKeyQZVWSDFRRQESIO-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Cyclohexyl-2-(difluoromethyl)-1,5-dihydropyrazole
CID 153404812
2,5-Dicyclohexyl-1,5-dihydropyrazole
CID 89914923
1-Ethenyl-2-(4-hexyl-4-methyldec-1-en-3-yl)hydrazine
CID 126760779
1,1-dimethyl-2-[(4E)-7-pentylcyclooct-4-en-1-yl]hydrazine
CID 134266582
5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole
CID 139444204
2-[2-(Aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine
CID 141003024
N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine
CID 146358384
Ethane;5-(2-methylpropyl)-2-propan-2-yl-1,5-dihydropyrazole
CID 153548280
1-[(2S)-3-ethenyl-6-methylnonan-2-yl]-2-methyl-1-prop-1-en-2-ylhydrazine
CID 156036004
3-(4,4-Dimethylpentyl)-2-methyl-1,3-dihydropyrazole
CID 156381427
3-Heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole
CID 166834566
(Z)-1-(2-ethylhydrazinyl)-5-pyrrolidin-3-ylpent-1-en-3-amine
CID 166932476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nonan-4-yl-1,5-dihydropyrazole?
The IUPAC name of 2-methyl-5-nonan-4-yl-1,5-dihydropyrazole (CID 168921752) is 2-methyl-5-nonan-4-yl-1,5-dihydropyrazole.
What is the SMILES notation for 2-methyl-5-nonan-4-yl-1,5-dihydropyrazole?
The canonical SMILES for 2-methyl-5-nonan-4-yl-1,5-dihydropyrazole is CCCCCC(CCC)C1C=CN(C)N1.
What is the InChIKey of 2-methyl-5-nonan-4-yl-1,5-dihydropyrazole?
The InChIKey is QZVWSDFRRQESIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-6-7-9-12(8-5-2)13-10-11-15(3)14-13/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-5-nonan-4-yl-1,5-dihydropyrazole?
2-methyl-5-nonan-4-yl-1,5-dihydropyrazole has a molecular weight of 210.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nonan-4-yl-1,5-dihydropyrazole is sourced from PubChem (CID 168921752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).