5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C17H23N5O3 — CID 72915923

IUPAC5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCn1nc(CC(C)C)cc1C(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C17H23N5O3/c1-4-22-14(6-11(20-22)5-10(2)3)16(23)21-8-13-12(18-9-19-13)7-15(21)17(24)25/h6,9-10,15H,4-5,7-8H2,1-3H3,(H,18,19)(H,24,25)
InChIKeyZUQXMTGGMKSIPA-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.48
Rot. Bonds5

About 5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 72915923) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID72915923
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCn1nc(CC(C)C)cc1C(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C17H23N5O3/c1-4-22-14(6-11(20-22)5-10(2)3)16(23)21-8-13-12(18-9-19-13)7-15(21)17(24)25/h6,9-10,15H,4-5,7-8H2,1-3H3,(H,18,19)(H,24,25)
InChIKeyZUQXMTGGMKSIPA-UHFFFAOYSA-N
XLogP1.48
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 72915923) is 5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CCn1nc(CC(C)C)cc1C(=O)N1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is ZUQXMTGGMKSIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-22-14(6-11(20-22)5-10(2)3)16(23)21-8-13-12(18-9-19-13)7-15(21)17(24)25/h6,9-10,15H,4-5,7-8H2,1-3H3,(H,18,19)(H,24,25).
What are the key properties of 5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 72915923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).