6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile

C19H19N5O2 — CID 648966

IUPAC6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile
SMILESCc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2
InChIInChI=1S/C19H19N5O2/c1-12-15-17(23-22-12)26-16(21)14(11-20)19(15)7-9-24(10-8-19)18(25)13-5-3-2-4-6-13/h2-6H,7-10,21H2,1H3,(H,22,23)
InChIKeyJCWNUCWGMSXRTB-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.98
Rot. Bonds1

About 6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile

6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile (PubChem CID 648966) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile
PubChem CID648966
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile
SMILESCc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2
InChIInChI=1S/C19H19N5O2/c1-12-15-17(23-22-12)26-16(21)14(11-20)19(15)7-9-24(10-8-19)18(25)13-5-3-2-4-6-13/h2-6H,7-10,21H2,1H3,(H,22,23)
InChIKeyJCWNUCWGMSXRTB-UHFFFAOYSA-N
XLogP1.98
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile?
The IUPAC name of 6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile (CID 648966) is 6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile.
What is the SMILES notation for 6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile?
The canonical SMILES for 6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile is Cc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile?
The InChIKey is JCWNUCWGMSXRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-15-17(23-22-12)26-16(21)14(11-20)19(15)7-9-24(10-8-19)18(25)13-5-3-2-4-6-13/h2-6H,7-10,21H2,1H3,(H,22,23).
What are the key properties of 6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile?
6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1'-benzoyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile is sourced from PubChem (CID 648966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).