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

C14H21N3O2 — CID 155959626

IUPAC6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid
SMILESO=C(O)C1Cc2cn[nH]c2CN1CC1CCCCC1
InChIInChI=1S/C14H21N3O2/c18-14(19)13-6-11-7-15-16-12(11)9-17(13)8-10-4-2-1-3-5-10/h7,10,13H,1-6,8-9H2,(H,15,16)(H,18,19)
InChIKeyZNXLYDJNOYETBL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.80
Rot. Bonds3

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

6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid (PubChem CID 155959626) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid
PubChem CID155959626
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid
SMILESO=C(O)C1Cc2cn[nH]c2CN1CC1CCCCC1
InChIInChI=1S/C14H21N3O2/c18-14(19)13-6-11-7-15-16-12(11)9-17(13)8-10-4-2-1-3-5-10/h7,10,13H,1-6,8-9H2,(H,15,16)(H,18,19)
InChIKeyZNXLYDJNOYETBL-UHFFFAOYSA-N
XLogP1.80
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid?
The IUPAC name of 6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid (CID 155959626) is 6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid?
The canonical SMILES for 6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid is O=C(O)C1Cc2cn[nH]c2CN1CC1CCCCC1.
What is the InChIKey of 6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid?
The InChIKey is ZNXLYDJNOYETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14(19)13-6-11-7-15-16-12(11)9-17(13)8-10-4-2-1-3-5-10/h7,10,13H,1-6,8-9H2,(H,15,16)(H,18,19).
What are the key properties of 6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid?
6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 155959626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).