1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C17H16BrN5O — CID 52783747

IUPAC1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1nn(-c2cccc(Br)c2)c2c1CCCC2
InChIInChI=1S/C17H16BrN5O/c18-11-4-3-5-12(10-11)23-14-7-2-1-6-13(14)16(22-23)17(24)20-15-8-9-19-21-15/h3-5,8-10H,1-2,6-7H2,(H2,19,20,21,24)
InChIKeyYRIUGSDPLQLUKY-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.49
Rot. Bonds3

About 1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 52783747) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID52783747
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1nn(-c2cccc(Br)c2)c2c1CCCC2
InChIInChI=1S/C17H16BrN5O/c18-11-4-3-5-12(10-11)23-14-7-2-1-6-13(14)16(22-23)17(24)20-15-8-9-19-21-15/h3-5,8-10H,1-2,6-7H2,(H2,19,20,21,24)
InChIKeyYRIUGSDPLQLUKY-UHFFFAOYSA-N
XLogP3.49
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 52783747) is 1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is O=C(Nc1ccn[nH]1)c1nn(-c2cccc(Br)c2)c2c1CCCC2.
What is the InChIKey of 1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is YRIUGSDPLQLUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c18-11-4-3-5-12(10-11)23-14-7-2-1-6-13(14)16(22-23)17(24)20-15-8-9-19-21-15/h3-5,8-10H,1-2,6-7H2,(H2,19,20,21,24).
What are the key properties of 1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 52783747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).