4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid

C15H16ClN3O2 — CID 90914429

IUPAC4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid
SMILESCCC1Cc2[nH]ncc2C(c2ccc(Cl)cc2)N1C(=O)O
InChIInChI=1S/C15H16ClN3O2/c1-2-11-7-13-12(8-17-18-13)14(19(11)15(20)21)9-3-5-10(16)6-4-9/h3-6,8,11,14H,2,7H2,1H3,(H,17,18)(H,20,21)
InChIKeyFRCBCYMPUURWJS-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.47
Rot. Bonds2

About 4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid

4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid (PubChem CID 90914429) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid
PubChem CID90914429
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid
SMILESCCC1Cc2[nH]ncc2C(c2ccc(Cl)cc2)N1C(=O)O
InChIInChI=1S/C15H16ClN3O2/c1-2-11-7-13-12(8-17-18-13)14(19(11)15(20)21)9-3-5-10(16)6-4-9/h3-6,8,11,14H,2,7H2,1H3,(H,17,18)(H,20,21)
InChIKeyFRCBCYMPUURWJS-UHFFFAOYSA-N
XLogP3.47
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid (CID 90914429) is 4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid is CCC1Cc2[nH]ncc2C(c2ccc(Cl)cc2)N1C(=O)O.
What is the InChIKey of 4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid?
The InChIKey is FRCBCYMPUURWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-2-11-7-13-12(8-17-18-13)14(19(11)15(20)21)9-3-5-10(16)6-4-9/h3-6,8,11,14H,2,7H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid?
4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid has a molecular weight of 305.76 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 90914429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).