4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole

C11H20N2 — CID 59743946

IUPAC4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1CC(C)(C)C
InChIInChI=1S/C11H20N2/c1-8-10(7-11(3,4)5)9(2)13(6)12-8/h7H2,1-6H3
InChIKeyJMSKYCCOEPKYMO-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.63
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole

4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole (PubChem CID 59743946) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
PubChem CID59743946
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1CC(C)(C)C
InChIInChI=1S/C11H20N2/c1-8-10(7-11(3,4)5)9(2)13(6)12-8/h7H2,1-6H3
InChIKeyJMSKYCCOEPKYMO-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 28610096
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]but-2-yn-1-amine
CID 79006322
N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 79645097
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 61261702
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 79242424
2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile
CID 106709427

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole (CID 59743946) is 4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole?
The InChIKey is JMSKYCCOEPKYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8-10(7-11(3,4)5)9(2)13(6)12-8/h7H2,1-6H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole?
4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole has a molecular weight of 180.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 59743946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).