1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C15H20N6O2 — CID 125162188

IUPAC1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC[C@@H](C(=O)N1CCc2c(c(C(N)=O)nn2C)C1)n1cccn1
InChIInChI=1S/C15H20N6O2/c1-3-11(21-7-4-6-17-21)15(23)20-8-5-12-10(9-20)13(14(16)22)18-19(12)2/h4,6-7,11H,3,5,8-9H2,1-2H3,(H2,16,22)/t11-/m0/s1
InChIKeyQFUCPSLCJVGEHK-NSHDSACASA-N
MW316.37 g/mol
LogP0.25
Rot. Bonds4

About 1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 125162188) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID125162188
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC[C@@H](C(=O)N1CCc2c(c(C(N)=O)nn2C)C1)n1cccn1
InChIInChI=1S/C15H20N6O2/c1-3-11(21-7-4-6-17-21)15(23)20-8-5-12-10(9-20)13(14(16)22)18-19(12)2/h4,6-7,11H,3,5,8-9H2,1-2H3,(H2,16,22)/t11-/m0/s1
InChIKeyQFUCPSLCJVGEHK-NSHDSACASA-N
XLogP0.25
TPSA99.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 125162188) is 1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC[C@@H](C(=O)N1CCc2c(c(C(N)=O)nn2C)C1)n1cccn1.
What is the InChIKey of 1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is QFUCPSLCJVGEHK-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-11(21-7-4-6-17-21)15(23)20-8-5-12-10(9-20)13(14(16)22)18-19(12)2/h4,6-7,11H,3,5,8-9H2,1-2H3,(H2,16,22)/t11-/m0/s1.
What are the key properties of 1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 125162188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).