ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine

C11H21N3 — CID 143808003

IUPACethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
SMILESCC.CN1Cc2cn[nH]c2C(C)(C)C1
InChIInChI=1S/C9H15N3.C2H6/c1-9(2)6-12(3)5-7-4-10-11-8(7)9;1-2/h4H,5-6H2,1-3H3,(H,10,11);1-2H3
InChIKeyYSSCUHUZKQVOHA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.16
Rot. Bonds

About ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine

ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine (PubChem CID 143808003) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
PubChem CID143808003
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Nameethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
SMILESCC.CN1Cc2cn[nH]c2C(C)(C)C1
InChIInChI=1S/C9H15N3.C2H6/c1-9(2)6-12(3)5-7-4-10-11-8(7)9;1-2/h4H,5-6H2,1-3H3,(H,10,11);1-2H3
InChIKeyYSSCUHUZKQVOHA-UHFFFAOYSA-N
XLogP2.16
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5,7,7-tetramethyl-4,6-dihydropyrazolo[4,5-c]pyridine
CID 58386609
1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone
CID 164636828
tert-butyl 7,7-difluoro-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carboxylate
CID 131116978
ethane;5,7,9-trimethyl-1,4,6,7,8,9-hexahydropyrazolo[4,5-c]azocine
CID 145356794
5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid
CID 70791257
6-methyl-5,7-dihydropyrrolo[3,4-d]pyridazine
CID 129098866
[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 175736663
5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane
CID 144881790
4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole
CID 90729578
7-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine;molecular hydrogen
CID 143873221
ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
CID 162282838
N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 175977018

Frequently Asked Questions

What is the IUPAC name of ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The IUPAC name of ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine (CID 143808003) is ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine is CC.CN1Cc2cn[nH]c2C(C)(C)C1.
What is the InChIKey of ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The InChIKey is YSSCUHUZKQVOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C2H6/c1-9(2)6-12(3)5-7-4-10-11-8(7)9;1-2/h4H,5-6H2,1-3H3,(H,10,11);1-2H3.
What are the key properties of ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine has a molecular weight of 195.31 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 143808003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).