3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide

C14H16N4O — CID 72698833

IUPAC3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide
SMILESCc1nn(C(=O)Nc2ccccc2)c2c1CNCC2
InChIInChI=1S/C14H16N4O/c1-10-12-9-15-8-7-13(12)18(17-10)14(19)16-11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3,(H,16,19)
InChIKeyIUXZBUJTXJLDJR-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.92
Rot. Bonds1

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

3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide (PubChem CID 72698833) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide
PubChem CID72698833
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide
SMILESCc1nn(C(=O)Nc2ccccc2)c2c1CNCC2
InChIInChI=1S/C14H16N4O/c1-10-12-9-15-8-7-13(12)18(17-10)14(19)16-11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3,(H,16,19)
InChIKeyIUXZBUJTXJLDJR-UHFFFAOYSA-N
XLogP1.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide?
The IUPAC name of 3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide (CID 72698833) is 3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide?
The canonical SMILES for 3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide is Cc1nn(C(=O)Nc2ccccc2)c2c1CNCC2.
What is the InChIKey of 3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide?
The InChIKey is IUXZBUJTXJLDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-12-9-15-8-7-13(12)18(17-10)14(19)16-11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3,(H,16,19).
What are the key properties of 3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide?
3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide is sourced from PubChem (CID 72698833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).