2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid

C18H23N3O4 — CID 74247656

IUPAC2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid
SMILESCCc1n[nH]c2c1CN(Cc1c(OC)cc(OC)cc1C(=O)O)CC2
InChIInChI=1S/C18H23N3O4/c1-4-15-14-10-21(6-5-16(14)20-19-15)9-13-12(18(22)23)7-11(24-2)8-17(13)25-3/h7-8H,4-6,9-10H2,1-3H3,(H,19,20)(H,22,23)
InChIKeyHWTKRSDRDIYMAA-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.25
Rot. Bonds6

About 2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid

2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid (PubChem CID 74247656) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid
PubChem CID74247656
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid
SMILESCCc1n[nH]c2c1CN(Cc1c(OC)cc(OC)cc1C(=O)O)CC2
InChIInChI=1S/C18H23N3O4/c1-4-15-14-10-21(6-5-16(14)20-19-15)9-13-12(18(22)23)7-11(24-2)8-17(13)25-3/h7-8H,4-6,9-10H2,1-3H3,(H,19,20)(H,22,23)
InChIKeyHWTKRSDRDIYMAA-UHFFFAOYSA-N
XLogP2.25
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid with MolForge

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Related Compounds

2-[(4-ethyl-3,3-dimethylpiperazin-1-yl)methyl]-3,5-dimethoxybenzoic acid
CID 74248498
3-ethyl-5-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118493373
2-sulfanylidene-6-[(2,4,6-trimethoxyphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24924531
5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide
CID 91837708
2-[[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methyl]-3,5-dimethoxybenzoic acid
CID 74237934
2-tert-butyl-6-[(2,4,6-trimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916869
3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
CID 144718796
3,5-dimethoxy-2-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)benzoic acid
CID 74232607
3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 31161158
2-cyclopropyl-6-[(2,4,6-trimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916880
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
N-[(4-acetamidophenyl)methyl]-2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetamide
CID 91839582

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid?
The IUPAC name of 2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid (CID 74247656) is 2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid is CCc1n[nH]c2c1CN(Cc1c(OC)cc(OC)cc1C(=O)O)CC2.
What is the InChIKey of 2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid?
The InChIKey is HWTKRSDRDIYMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-15-14-10-21(6-5-16(14)20-19-15)9-13-12(18(22)23)7-11(24-2)8-17(13)25-3/h7-8H,4-6,9-10H2,1-3H3,(H,19,20)(H,22,23).
What are the key properties of 2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid?
2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid has a molecular weight of 345.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 74247656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).