3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole

C11H20N2 — CID 91218954

IUPAC3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole
SMILESCCC(C(C)C)n1nc(C)cc1C
InChIInChI=1S/C11H20N2/c1-6-11(8(2)3)13-10(5)7-9(4)12-13/h7-8,11H,6H2,1-5H3
InChIKeySORUUARKZSNUBH-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.11
Rot. Bonds3

About 3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole

3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole (PubChem CID 91218954) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole
PubChem CID91218954
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole
SMILESCCC(C(C)C)n1nc(C)cc1C
InChIInChI=1S/C11H20N2/c1-6-11(8(2)3)13-10(5)7-9(4)12-13/h7-8,11H,6H2,1-5H3
InChIKeySORUUARKZSNUBH-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine
CID 62446833
N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
CID 62447016
1-(3,5-dimethylpyrazol-1-yl)ethanol
CID 70567807
1-(1-bromoethyl)-3,5-dimethylpyrazole
CID 86146803
3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol
CID 114357670
3-(3,5-dimethylpyrazol-1-yl)pentanenitrile
CID 43367601
3-(3,5-dimethylpyrazol-1-yl)butanethioamide
CID 60915402
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
CID 62448342
3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 130652830
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408988
tetrakis(1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(iron(2+));tetratetrafluoroborate
CID 139136664
2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine
CID 83045319

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole (CID 91218954) is 3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole is CCC(C(C)C)n1nc(C)cc1C.
What is the InChIKey of 3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole?
The InChIKey is SORUUARKZSNUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-11(8(2)3)13-10(5)7-9(4)12-13/h7-8,11H,6H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole?
3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole has a molecular weight of 180.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole is sourced from PubChem (CID 91218954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).