N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C17H20N4O2 — CID 91914415

IUPACN,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCc3[nH]nc(C(=O)N(C)C)c3C2)c1
InChIInChI=1S/C17H20N4O2/c1-11-5-4-6-12(9-11)16(22)21-8-7-14-13(10-21)15(19-18-14)17(23)20(2)3/h4-6,9H,7-8,10H2,1-3H3,(H,18,19)
InChIKeyUWSMFAIHBYDGOC-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.62
Rot. Bonds2

About N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 91914415) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID91914415
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCc3[nH]nc(C(=O)N(C)C)c3C2)c1
InChIInChI=1S/C17H20N4O2/c1-11-5-4-6-12(9-11)16(22)21-8-7-14-13(10-21)15(19-18-14)17(23)20(2)3/h4-6,9H,7-8,10H2,1-3H3,(H,18,19)
InChIKeyUWSMFAIHBYDGOC-UHFFFAOYSA-N
XLogP1.62
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 91914415) is N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cccc(C(=O)N2CCc3[nH]nc(C(=O)N(C)C)c3C2)c1.
What is the InChIKey of N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is UWSMFAIHBYDGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-5-4-6-12(9-11)16(22)21-8-7-14-13(10-21)15(19-18-14)17(23)20(2)3/h4-6,9H,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(3-methylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 91914415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).