1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C20H23N5O2 — CID 56709692

IUPAC1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCC(NCc1ccccc1-n1cccn1)C2
InChIInChI=1S/C20H23N5O2/c1-2-24-18-9-8-15(12-16(18)19(23-24)20(26)27)21-13-14-6-3-4-7-17(14)25-11-5-10-22-25/h3-7,10-11,15,21H,2,8-9,12-13H2,1H3,(H,26,27)
InChIKeyJWHFQXQFZKNLNY-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.43
Rot. Bonds6

About 1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid

1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 56709692) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID56709692
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCC(NCc1ccccc1-n1cccn1)C2
InChIInChI=1S/C20H23N5O2/c1-2-24-18-9-8-15(12-16(18)19(23-24)20(26)27)21-13-14-6-3-4-7-17(14)25-11-5-10-22-25/h3-7,10-11,15,21H,2,8-9,12-13H2,1H3,(H,26,27)
InChIKeyJWHFQXQFZKNLNY-UHFFFAOYSA-N
XLogP2.43
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 56709692) is 1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCn1nc(C(=O)O)c2c1CCC(NCc1ccccc1-n1cccn1)C2.
What is the InChIKey of 1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is JWHFQXQFZKNLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-24-18-9-8-15(12-16(18)19(23-24)20(26)27)21-13-14-6-3-4-7-17(14)25-11-5-10-22-25/h3-7,10-11,15,21H,2,8-9,12-13H2,1H3,(H,26,27).
What are the key properties of 1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 365.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 56709692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).