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

C17H18N4O — CID 2881667

IUPAC6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)CC1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
InChIInChI=1S/C17H18N4O/c1-10(2)8-12-13(9-18)16(19)22-17-14(12)15(20-21-17)11-6-4-3-5-7-11/h3-7,10,12H,8,19H2,1-2H3,(H,20,21)
InChIKeyHJKVKJIUEPNLHI-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.29
Rot. Bonds3

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

6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2881667) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2881667
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)CC1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
InChIInChI=1S/C17H18N4O/c1-10(2)8-12-13(9-18)16(19)22-17-14(12)15(20-21-17)11-6-4-3-5-7-11/h3-7,10,12H,8,19H2,1-2H3,(H,20,21)
InChIKeyHJKVKJIUEPNLHI-UHFFFAOYSA-N
XLogP3.29
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-amino-3-phenyl-4-(2-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 878456
(4R)-6-amino-4-pentan-3-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 764926
6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2881395
6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3569451
(4R)-6-amino-4-cyclohexyl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 716985
(4S)-6-amino-4-(2-iodophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1044730
(4R)-6-amino-3-(4-phenylphenyl)-4-pyridin-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 6547333
6-amino-4-[4-(dimethylamino)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3987344
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
(4R)-6-amino-4-[(1S)-cyclohex-3-en-1-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 716966
6-amino-3-(4-methoxyphenyl)-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5156810
6-amino-4-(4-phenylphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3562980

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2881667) is 6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CC(C)CC1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21.
What is the InChIKey of 6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is HJKVKJIUEPNLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-10(2)8-12-13(9-18)16(19)22-17-14(12)15(20-21-17)11-6-4-3-5-7-11/h3-7,10,12H,8,19H2,1-2H3,(H,20,21).
What are the key properties of 6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2881667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).