formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide

C20H21N7O2 — CID 67775506

IUPACformamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(C)c1-c1ccn2nc(-c3ccccc3)nc2c1.NC=O
InChIInChI=1S/C19H18N6O.CH3NO/c1-23(2)19(26)15-12-20-24(3)17(15)14-9-10-25-16(11-14)21-18(22-25)13-7-5-4-6-8-13;2-1-3/h4-12H,1-3H3;1H,(H2,2,3)
InChIKeyXFQZFTQZWGMGAC-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.60
Rot. Bonds3

About formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide

formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide (PubChem CID 67775506) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Nameformamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide
PubChem CID67775506
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Nameformamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(C)c1-c1ccn2nc(-c3ccccc3)nc2c1.NC=O
InChIInChI=1S/C19H18N6O.CH3NO/c1-23(2)19(26)15-12-20-24(3)17(15)14-9-10-25-16(11-14)21-18(22-25)13-7-5-4-6-8-13;2-1-3/h4-12H,1-3H3;1H,(H2,2,3)
InChIKeyXFQZFTQZWGMGAC-UHFFFAOYSA-N
XLogP1.60
TPSA111.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide?
The IUPAC name of formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide (CID 67775506) is formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide.
What is the SMILES notation for formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide?
The canonical SMILES for formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide is CN(C)C(=O)c1cnn(C)c1-c1ccn2nc(-c3ccccc3)nc2c1.NC=O.
What is the InChIKey of formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide?
The InChIKey is XFQZFTQZWGMGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O.CH3NO/c1-23(2)19(26)15-12-20-24(3)17(15)14-9-10-25-16(11-14)21-18(22-25)13-7-5-4-6-8-13;2-1-3/h4-12H,1-3H3;1H,(H2,2,3).
What are the key properties of formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide?
formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 67775506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).