N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide

C20H24N6O — CID 128787355

IUPACN-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide
SMILESCc1ccc(-n2cc(NC(=O)N3CCCc4c(cnn4C)C3)cn2)c(C)c1
InChIInChI=1S/C20H24N6O/c1-14-6-7-18(15(2)9-14)26-13-17(11-22-26)23-20(27)25-8-4-5-19-16(12-25)10-21-24(19)3/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,23,27)
InChIKeyWNIWPJVEXULWSO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.20
Rot. Bonds2

About N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide

N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide (PubChem CID 128787355) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide
PubChem CID128787355
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide
SMILESCc1ccc(-n2cc(NC(=O)N3CCCc4c(cnn4C)C3)cn2)c(C)c1
InChIInChI=1S/C20H24N6O/c1-14-6-7-18(15(2)9-14)26-13-17(11-22-26)23-20(27)25-8-4-5-19-16(12-25)10-21-24(19)3/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,23,27)
InChIKeyWNIWPJVEXULWSO-UHFFFAOYSA-N
XLogP3.20
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide (CID 128787355) is N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide is Cc1ccc(-n2cc(NC(=O)N3CCCc4c(cnn4C)C3)cn2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide?
The InChIKey is WNIWPJVEXULWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-6-7-18(15(2)9-14)26-13-17(11-22-26)23-20(27)25-8-4-5-19-16(12-25)10-21-24(19)3/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,23,27).
What are the key properties of N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide?
N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide is sourced from PubChem (CID 128787355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).