N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide

C20H21N5O — CID 18524032

IUPACN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(-n2ncc3c2CCCC3NC(=O)c2cnccn2)cc1C
InChIInChI=1S/C20H21N5O/c1-13-6-7-15(10-14(13)2)25-19-5-3-4-17(16(19)11-23-25)24-20(26)18-12-21-8-9-22-18/h6-12,17H,3-5H2,1-2H3,(H,24,26)
InChIKeyWELDBPWEIMXGEZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.09
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide (PubChem CID 18524032) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide
PubChem CID18524032
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(-n2ncc3c2CCCC3NC(=O)c2cnccn2)cc1C
InChIInChI=1S/C20H21N5O/c1-13-6-7-15(10-14(13)2)25-19-5-3-4-17(16(19)11-23-25)24-20(26)18-12-21-8-9-22-18/h6-12,17H,3-5H2,1-2H3,(H,24,26)
InChIKeyWELDBPWEIMXGEZ-UHFFFAOYSA-N
XLogP3.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide (CID 18524032) is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide is Cc1ccc(-n2ncc3c2CCCC3NC(=O)c2cnccn2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is WELDBPWEIMXGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-6-7-15(10-14(13)2)25-19-5-3-4-17(16(19)11-23-25)24-20(26)18-12-21-8-9-22-18/h6-12,17H,3-5H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide?
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 18524032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).