5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole

C14H24N4 — CID 136902568

IUPAC5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole
SMILESCC(C)[C@H](C)n1ncc2[nH]c(CC(C)(C)C)nc21
InChIInChI=1S/C14H24N4/c1-9(2)10(3)18-13-11(8-15-18)16-12(17-13)7-14(4,5)6/h8-10H,7H2,1-6H3,(H,16,17)/t10-/m0/s1
InChIKeySXOHCVPCQGHLKC-JTQLQIEISA-N
MW248.37 g/mol
LogP3.57
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole

5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole (PubChem CID 136902568) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole
PubChem CID136902568
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole
SMILESCC(C)[C@H](C)n1ncc2[nH]c(CC(C)(C)C)nc21
InChIInChI=1S/C14H24N4/c1-9(2)10(3)18-13-11(8-15-18)16-12(17-13)7-14(4,5)6/h8-10H,7H2,1-6H3,(H,16,17)/t10-/m0/s1
InChIKeySXOHCVPCQGHLKC-JTQLQIEISA-N
XLogP3.57
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole with MolForge

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Related Compounds

1-ethyl-5-(5-methyl-1-propyl-1H-pyrazol-4-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966217
1-ethyl-5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966314
Dihydroimidazopyrazole
CID 135621748
1-isopropyl-3-methyl-5-(1-methyl-1H-imidazol-5-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135888202
5-(1,2-dimethyl-1H-imidazol-5-yl)-1-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135888559
5-(1,2-dimethyl-1H-imidazol-5-yl)-3-methyl-1-(3-methylbutyl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135914450
5-[1,1-Dimethyl-2-(4-morpholinyl)ethyl]-1-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135952169
5-(2,2-Dimethylpropyl)-1-isobutyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966200
5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966254
1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole
CID 164638900
5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole
CID 135958626
1-(1,2-Dimethylpropyl)-5-(1-methylbutyl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966342

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole (CID 136902568) is 5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole is CC(C)[C@H](C)n1ncc2[nH]c(CC(C)(C)C)nc21.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole?
The InChIKey is SXOHCVPCQGHLKC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4/c1-9(2)10(3)18-13-11(8-15-18)16-12(17-13)7-14(4,5)6/h8-10H,7H2,1-6H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole?
5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole has a molecular weight of 248.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1-[(2S)-3-methylbutan-2-yl]-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 136902568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).