6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C17H18N4O — CID 644636

IUPAC6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C17H18N4O/c1-2-6-14-15-12(9-11-7-4-3-5-8-11)13(10-18)16(19)22-17(15)21-20-14/h3-5,7-8,12H,2,6,9,19H2,1H3,(H,20,21)
InChIKeyDADOBSYRAHZLLW-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.77
Rot. Bonds4

About 6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 644636) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID644636
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C17H18N4O/c1-2-6-14-15-12(9-11-7-4-3-5-8-11)13(10-18)16(19)22-17(15)21-20-14/h3-5,7-8,12H,2,6,9,19H2,1H3,(H,20,21)
InChIKeyDADOBSYRAHZLLW-UHFFFAOYSA-N
XLogP2.77
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-amino-4-benzyl-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40773409
(4S)-6-amino-4-benzyl-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 950005
(4R)-6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 6546788
6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645658
6-amino-4-(furan-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3126434
(4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743692
(4S)-6-amino-4-propan-2-yl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 742389
(4S)-6-amino-4-(2-nitrophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743726
6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945590
6-amino-4-(5-bromothiophen-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156357
(4S)-6-amino-4-(3-methylthiophen-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 708190
(4S)-6-amino-3-phenyl-4-(2-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 878456

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 644636) is 6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is DADOBSYRAHZLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-6-14-15-12(9-11-7-4-3-5-8-11)13(10-18)16(19)22-17(15)21-20-14/h3-5,7-8,12H,2,6,9,19H2,1H3,(H,20,21).
What are the key properties of 6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 644636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).