5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C12H21N3 — CID 90337654

IUPAC5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1c2c(nn1C)CCN(C(C)(C)C)C2
InChIInChI=1S/C12H21N3/c1-9-10-8-15(12(2,3)4)7-6-11(10)13-14(9)5/h6-8H2,1-5H3
InChIKeyVALZWIHLYJKDGM-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.89
Rot. Bonds

About 5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 90337654) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID90337654
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1c2c(nn1C)CCN(C(C)(C)C)C2
InChIInChI=1S/C12H21N3/c1-9-10-8-15(12(2,3)4)7-6-11(10)13-14(9)5/h6-8H2,1-5H3
InChIKeyVALZWIHLYJKDGM-UHFFFAOYSA-N
XLogP1.89
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
2,3-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine
CID 82417238
3-ethynyl-1-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 145769935
6-(cyclopropylmethyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97404995
1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine
CID 97405042
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240
3-ethynyl-2-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 126838928
1-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine hydrochloride
CID 165946402
1,3,5-Trimethyl-4-propylpyrazole
CID 13792879
4-Butyl-1,3,5-trimethylpyrazole
CID 127012036
(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)methanamine
CID 83383904

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 90337654) is 5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1c2c(nn1C)CCN(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is VALZWIHLYJKDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-10-8-15(12(2,3)4)7-6-11(10)13-14(9)5/h6-8H2,1-5H3.
What are the key properties of 5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 207.32 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 90337654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).