(7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride

C22H25ClN4O — CID 90668469

IUPAC(7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride
SMILESCNC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)C(c3ccccc3)C2C1.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-23-22(27)26-14-18(13-16-9-5-3-6-10-16)20-19(15-26)21(25(2)24-20)17-11-7-4-8-12-17;/h3-13,19,21H,14-15H2,1-2H3,(H,23,27);1H/b18-13+;
InChIKeyNLYUXHRFXWQEJE-PUBYZPQMSA-N
MW396.92 g/mol
LogP3.81
Rot. Bonds2

About (7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride

(7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride (PubChem CID 90668469) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is (7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name(7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride
PubChem CID90668469
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name(7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride
SMILESCNC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)C(c3ccccc3)C2C1.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-23-22(27)26-14-18(13-16-9-5-3-6-10-16)20-19(15-26)21(25(2)24-20)17-11-7-4-8-12-17;/h3-13,19,21H,14-15H2,1-2H3,(H,23,27);1H/b18-13+;
InChIKeyNLYUXHRFXWQEJE-PUBYZPQMSA-N
XLogP3.81
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride?
The IUPAC name of (7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride (CID 90668469) is (7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride.
What is the SMILES notation for (7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride?
The canonical SMILES for (7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride is CNC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)C(c3ccccc3)C2C1.Cl.
What is the InChIKey of (7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride?
The InChIKey is NLYUXHRFXWQEJE-PUBYZPQMSA-N. The full InChI is InChI=1S/C22H24N4O.ClH/c1-23-22(27)26-14-18(13-16-9-5-3-6-10-16)20-19(15-26)21(25(2)24-20)17-11-7-4-8-12-17;/h3-13,19,21H,14-15H2,1-2H3,(H,23,27);1H/b18-13+;.
What are the key properties of (7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride?
(7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-benzylidene-N,2-dimethyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;hydrochloride is sourced from PubChem (CID 90668469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).