ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C19H29N3O4 — CID 45160033

IUPACethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)C1CCCO1)CC2
InChIInChI=1S/C19H29N3O4/c1-4-25-19(24)17-14-12-21(18(23)16-6-5-11-26-16)9-8-15(14)22(20-17)10-7-13(2)3/h13,16H,4-12H2,1-3H3
InChIKeyNVXVMWIZJYOXOW-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.17
Rot. Bonds6

About ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 45160033) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID45160033
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nameethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)C1CCCO1)CC2
InChIInChI=1S/C19H29N3O4/c1-4-25-19(24)17-14-12-21(18(23)16-6-5-11-26-16)9-8-15(14)22(20-17)10-7-13(2)3/h13,16H,4-12H2,1-3H3
InChIKeyNVXVMWIZJYOXOW-UHFFFAOYSA-N
XLogP2.17
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(3-methylbutyl)-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26144037
ethyl 1-(2-hydroxyethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 82585817
ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26223058
ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142747
[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone
CID 83275656
ethyl 5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26234133
[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone
CID 91917560
ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26135305
ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)pyrazolidine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 74492952
ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136993
ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate
CID 95346669
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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 45160033) is ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)C1CCCO1)CC2.
What is the InChIKey of ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is NVXVMWIZJYOXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-25-19(24)17-14-12-21(18(23)16-6-5-11-26-16)9-8-15(14)22(20-17)10-7-13(2)3/h13,16H,4-12H2,1-3H3.
What are the key properties of ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methylbutyl)-5-(oxolane-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 45160033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).