2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole

C13H26N2 — CID 168928517

IUPAC2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole
SMILESCC(C)CCC1=CN(C(C)(C)C)NC1C
InChIInChI=1S/C13H26N2/c1-10(2)7-8-12-9-15(13(4,5)6)14-11(12)3/h9-11,14H,7-8H2,1-6H3
InChIKeyKBDOVVOBLDMLCB-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.31
Rot. Bonds3

About 2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole

2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole (PubChem CID 168928517) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole
PubChem CID168928517
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole
SMILESCC(C)CCC1=CN(C(C)(C)C)NC1C
InChIInChI=1S/C13H26N2/c1-10(2)7-8-12-9-15(13(4,5)6)14-11(12)3/h9-11,14H,7-8H2,1-6H3
InChIKeyKBDOVVOBLDMLCB-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole
CID 126581898
ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole
CID 144881804
2,4-Dimethyl-3-propan-2-yl-1,3-dihydropyrazole
CID 146393146
3-Heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole
CID 166834566
3-[3-(5-Cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine
CID 166994946
3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole
CID 167309555
2-Methyl-5-nonan-4-yl-1,5-dihydropyrazole
CID 168921752
2-Tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole
CID 168928377
2-Methyl-4-(3-methylbutyl)-1,5-dihydropyrazole
CID 168928486
1-Hydrazinyl-7-methyl-5-methylideneoctan-4-amine
CID 170054458
Ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole
CID 170574391
4-[(3,3-Dimethyl-1,2-dihydropyrazol-4-yl)methyl]-3,3-dimethyl-1,2-dihydropyrazole
CID 102279502

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
The IUPAC name of 2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole (CID 168928517) is 2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
The canonical SMILES for 2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole is CC(C)CCC1=CN(C(C)(C)C)NC1C.
What is the InChIKey of 2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
The InChIKey is KBDOVVOBLDMLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)7-8-12-9-15(13(4,5)6)14-11(12)3/h9-11,14H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole has a molecular weight of 210.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole is sourced from PubChem (CID 168928517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).