(E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C14H25N3 — CID 142338120

IUPAC(E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESC/C=C/C.CC(C)n1ncc2c1CN(C)CC2
InChIInChI=1S/C10H17N3.C4H8/c1-8(2)13-10-7-12(3)5-4-9(10)6-11-13;1-3-4-2/h6,8H,4-5,7H2,1-3H3;3-4H,1-2H3/b;4-3+
InChIKeyIMNYXMCIZZLUOJ-SCBDLNNBSA-N
MW235.38 g/mol
LogP3.03
Rot. Bonds1

About (E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

(E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 142338120) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is (E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name(E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID142338120
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name(E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESC/C=C/C.CC(C)n1ncc2c1CN(C)CC2
InChIInChI=1S/C10H17N3.C4H8/c1-8(2)13-10-7-12(3)5-4-9(10)6-11-13;1-3-4-2/h6,8H,4-5,7H2,1-3H3;3-4H,1-2H3/b;4-3+
InChIKeyIMNYXMCIZZLUOJ-SCBDLNNBSA-N
XLogP3.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine with MolForge

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Related Compounds

1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide
CID 122696837
1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone
CID 141368938
ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143170671
methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 155066846
1-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole
CID 122696776
(4S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 97181754
3,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;ethane
CID 143160771
acetaldehyde;ethane;2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 176703540
(6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067823
3,4-dihydro-1H-isoquinolin-2-yl-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 17461214
1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011554
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of (E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 142338120) is (E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for (E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for (E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is C/C=C/C.CC(C)n1ncc2c1CN(C)CC2.
What is the InChIKey of (E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is IMNYXMCIZZLUOJ-SCBDLNNBSA-N. The full InChI is InChI=1S/C10H17N3.C4H8/c1-8(2)13-10-7-12(3)5-4-9(10)6-11-13;1-3-4-2/h6,8H,4-5,7H2,1-3H3;3-4H,1-2H3/b;4-3+.
What are the key properties of (E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
(E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 235.38 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 142338120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).