6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C25H27N5O — CID 4072397

IUPAC6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)Cc1ccc(-c2[nH]nc3c2C(c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C25H27N5O/c1-15(2)13-16-5-7-18(8-6-16)23-22-21(17-9-11-19(12-10-17)30(3)4)20(14-26)24(27)31-25(22)29-28-23/h5-12,15,21H,13,27H2,1-4H3,(H,28,29)
InChIKeyQFAKULKMSXKJTI-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.56
Rot. Bonds5

About 6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 4072397) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID4072397
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)Cc1ccc(-c2[nH]nc3c2C(c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C25H27N5O/c1-15(2)13-16-5-7-18(8-6-16)23-22-21(17-9-11-19(12-10-17)30(3)4)20(14-26)24(27)31-25(22)29-28-23/h5-12,15,21H,13,27H2,1-4H3,(H,28,29)
InChIKeyQFAKULKMSXKJTI-UHFFFAOYSA-N
XLogP4.56
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 4072397) is 6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CC(C)Cc1ccc(-c2[nH]nc3c2C(c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1.
What is the InChIKey of 6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is QFAKULKMSXKJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-15(2)13-16-5-7-18(8-6-16)23-22-21(17-9-11-19(12-10-17)30(3)4)20(14-26)24(27)31-25(22)29-28-23/h5-12,15,21H,13,27H2,1-4H3,(H,28,29).
What are the key properties of 6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 413.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[4-(dimethylamino)phenyl]-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 4072397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).