1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine

C12H22N4 — CID 105479841

IUPAC1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine
SMILESCCN1CCc2c(N)nn(C(C)(C)C)c2C1
InChIInChI=1S/C12H22N4/c1-5-15-7-6-9-10(8-15)16(12(2,3)4)14-11(9)13/h5-8H2,1-4H3,(H2,13,14)
InChIKeyQNSJUSKWCHRNLE-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.60
Rot. Bonds1

About 1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine

1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine (PubChem CID 105479841) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine
PubChem CID105479841
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine
SMILESCCN1CCc2c(N)nn(C(C)(C)C)c2C1
InChIInChI=1S/C12H22N4/c1-5-15-7-6-9-10(8-15)16(12(2,3)4)14-11(9)13/h5-8H2,1-4H3,(H2,13,14)
InChIKeyQNSJUSKWCHRNLE-UHFFFAOYSA-N
XLogP1.60
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 155316127
2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol
CID 83916771
2-cyclopentyl-6-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-amine
CID 105495296
3-amino-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 165498774
1-ethyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 105439059
7-tert-butyl-2,5-diethyl-3,4-dihydro-1H-isoquinoline
CID 167248456
3-amino-11-ethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,6-triene-5-thione
CID 793041
2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 105490423
5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-amine
CID 66202304
5-ethyl-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405713
3-(4-tert-butylphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539351
5-ethyl-4,6,7,8-tetrahydrothieno[3,2-c]azepin-2-amine
CID 13277390

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine?
The IUPAC name of 1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine (CID 105479841) is 1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine.
What is the SMILES notation for 1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine?
The canonical SMILES for 1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine is CCN1CCc2c(N)nn(C(C)(C)C)c2C1.
What is the InChIKey of 1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine?
The InChIKey is QNSJUSKWCHRNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-15-7-6-9-10(8-15)16(12(2,3)4)14-11(9)13/h5-8H2,1-4H3,(H2,13,14).
What are the key properties of 1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine?
1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-amine is sourced from PubChem (CID 105479841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).