6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile

C16H15BrN4O — CID 72549697

IUPAC6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCC1(c2cccc(Br)c2)C(C#N)=C(N)Oc2n[nH]c(C)c21
InChIInChI=1S/C16H15BrN4O/c1-3-16(10-5-4-6-11(17)7-10)12(8-18)14(19)22-15-13(16)9(2)20-21-15/h4-7H,3,19H2,1-2H3,(H,20,21)
InChIKeyIOLBHUOCICQEPA-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.26
Rot. Bonds2

About 6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 72549697) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID72549697
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCC1(c2cccc(Br)c2)C(C#N)=C(N)Oc2n[nH]c(C)c21
InChIInChI=1S/C16H15BrN4O/c1-3-16(10-5-4-6-11(17)7-10)12(8-18)14(19)22-15-13(16)9(2)20-21-15/h4-7H,3,19H2,1-2H3,(H,20,21)
InChIKeyIOLBHUOCICQEPA-UHFFFAOYSA-N
XLogP3.26
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-6'-amino-5-bromo-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1035480
6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
CID 12924203
(4S)-6-amino-1'-ethyl-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 942983
6'-amino-6-bromo-3',5-dimethyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 4266586
(2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile
CID 944487
(4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile
CID 28866936
2-[3-[3-(6-amino-5-cyano-3-methyl-4-propan-2-yl-2H-pyrano[2,3-c]pyrazol-4-yl)-5-(hydroxymethyl)phenyl]phenyl]acetamide
CID 134335084
6-amino-3-methyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 23475422
2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide
CID 3764269
6-amino-4-[3-[2-(3-hydroxyphenyl)ethynyl]-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 134335010
6-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4188506
6-amino-4-(5-bromo-2-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2942320

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile (CID 72549697) is 6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile is CCC1(c2cccc(Br)c2)C(C#N)=C(N)Oc2n[nH]c(C)c21.
What is the InChIKey of 6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is IOLBHUOCICQEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-3-16(10-5-4-6-11(17)7-10)12(8-18)14(19)22-15-13(16)9(2)20-21-15/h4-7H,3,19H2,1-2H3,(H,20,21).
What are the key properties of 6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 359.23 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 72549697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).