ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C12H18N4O3 — CID 155366821

IUPACethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c2c(nn1CCN)CCN(C=O)C2
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)11-9-7-15(8-17)5-3-10(9)14-16(11)6-4-13/h8H,2-7,13H2,1H3
InChIKeySMWHKUJBJRPEPE-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.47
Rot. Bonds5

About ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 155366821) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID155366821
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c2c(nn1CCN)CCN(C=O)C2
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)11-9-7-15(8-17)5-3-10(9)14-16(11)6-4-13/h8H,2-7,13H2,1H3
InChIKeySMWHKUJBJRPEPE-UHFFFAOYSA-N
XLogP-0.47
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diethyl 1-(2-aminoethyl)-4-bromopyrazole-3,5-dicarboxylate
CID 167201572
3-O-tert-butyl 5-O-ethyl 2-(2-oxoethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
CID 150118279
5-O-tert-butyl 3-O-ethyl 1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 2-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
CID 157307706
2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 142262289
12-(3,4-dichlorobenzoyl)-4-(1-pyridin-4-ylethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one;(diiodo-λ3-iodanyl)-[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(2-aminoethyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;1-pyridin-4-ylethanone
CID 167675536
acetic acid;ditert-butyl 2-(2-oxoethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
CID 175209250
ethyl 1-(2-hydroxyethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 82585817
4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 139399524
ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 164771765
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642
5-O-tert-butyl 3-O-ethyl 2-(1-benzylpyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
CID 131677044
ethyl 4-amino-3-(4-chlorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrazole-5-carboxylate
CID 132501111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 155366821) is ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1c2c(nn1CCN)CCN(C=O)C2.
What is the InChIKey of ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is SMWHKUJBJRPEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-12(18)11-9-7-15(8-17)5-3-10(9)14-16(11)6-4-13/h8H,2-7,13H2,1H3.
What are the key properties of ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 155366821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).