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

C16H18N4O2 — CID 110875657

IUPAC5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C16H18N4O2/c1-19(2)16(22)14-12-10-20(9-8-13(12)17-18-14)15(21)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,17,18)
InChIKeyKKFUJFIZKHWNQO-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.31
Rot. Bonds2

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

5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 110875657) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID110875657
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C16H18N4O2/c1-19(2)16(22)14-12-10-20(9-8-13(12)17-18-14)15(21)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,17,18)
InChIKeyKKFUJFIZKHWNQO-UHFFFAOYSA-N
XLogP1.31
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorobenzoyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914416
5-(3-chlorobenzoyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914413
5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914409
N-benzyl-5-(4-methoxybenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873475
5-(3-chlorobenzoyl)-N-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914428
N-(2-aminoethyl)-5-(1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 152538621
(3-benzyl-4-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)-phenylmethanone
CID 70510356
N,N-dimethyl-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97388926
furan-3-yl-[3-(4-phenylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076151
N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 72903585
(4-ethylphenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914447
5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146038986

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 110875657) is 5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN(C)C(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1)CC2.
What is the InChIKey of 5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is KKFUJFIZKHWNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19(2)16(22)14-12-10-20(9-8-13(12)17-18-14)15(21)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,17,18).
What are the key properties of 5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 110875657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).