6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile

C19H20N4O — CID 973740

IUPAC6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile
SMILESCc1[nH]nc2c1C1(CCC(c3ccccc3)CC1)C(C#N)=C(N)O2
InChIInChI=1S/C19H20N4O/c1-12-16-18(23-22-12)24-17(21)15(11-20)19(16)9-7-14(8-10-19)13-5-3-2-4-6-13/h2-6,14H,7-10,21H2,1H3,(H,22,23)
InChIKeyBLMKWNXQYFCJCA-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.40
Rot. Bonds1

About 6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile

6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile (PubChem CID 973740) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile
PubChem CID973740
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile
SMILESCc1[nH]nc2c1C1(CCC(c3ccccc3)CC1)C(C#N)=C(N)O2
InChIInChI=1S/C19H20N4O/c1-12-16-18(23-22-12)24-17(21)15(11-20)19(16)9-7-14(8-10-19)13-5-3-2-4-6-13/h2-6,14H,7-10,21H2,1H3,(H,22,23)
InChIKeyBLMKWNXQYFCJCA-UHFFFAOYSA-N
XLogP3.40
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile (CID 973740) is 6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile is Cc1[nH]nc2c1C1(CCC(c3ccccc3)CC1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile?
The InChIKey is BLMKWNXQYFCJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-16-18(23-22-12)24-17(21)15(11-20)19(16)9-7-14(8-10-19)13-5-3-2-4-6-13/h2-6,14H,7-10,21H2,1H3,(H,22,23).
What are the key properties of 6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile?
6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-4'-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile is sourced from PubChem (CID 973740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).