6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C22H19N5O — CID 2891150

IUPAC6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCn1c2ccccc2c2cc(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)ccc21
InChIInChI=1S/C22H19N5O/c1-3-27-17-7-5-4-6-14(17)15-10-13(8-9-18(15)27)20-16(11-23)21(24)28-22-19(20)12(2)25-26-22/h4-10,20H,3,24H2,1-2H3,(H,25,26)
InChIKeyRWCNWFQCWFDSMT-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.06
Rot. Bonds2

About 6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2891150) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2891150
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCn1c2ccccc2c2cc(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)ccc21
InChIInChI=1S/C22H19N5O/c1-3-27-17-7-5-4-6-14(17)15-10-13(8-9-18(15)27)20-16(11-23)21(24)28-22-19(20)12(2)25-26-22/h4-10,20H,3,24H2,1-2H3,(H,25,26)
InChIKeyRWCNWFQCWFDSMT-UHFFFAOYSA-N
XLogP4.06
TPSA92.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
(4R)-6-amino-4-(4-cyanophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675952
(4S)-6-amino-4-(3-iodophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1034721
(4R)-6-amino-4-(3-hydroxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675917
(4S)-6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 682942
6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3739288
(4S)-6-amino-4-(4-ethoxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 951901
6-amino-4-(furan-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645331
6-amino-4-[4-(dimethylamino)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2837627
(4S)-6-amino-3-methyl-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 691815
6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 139234738
6-amino-4-(3-ethoxy-4-propoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3154779

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2891150) is 6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCn1c2ccccc2c2cc(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)ccc21.
What is the InChIKey of 6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is RWCNWFQCWFDSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-3-27-17-7-5-4-6-14(17)15-10-13(8-9-18(15)27)20-16(11-23)21(24)28-22-19(20)12(2)25-26-22/h4-10,20H,3,24H2,1-2H3,(H,25,26).
What are the key properties of 6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 369.43 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2891150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).