6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C17H18N4O3 — CID 652676

IUPAC6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1ccc(O)c(OC)c1)C(C#N)=C(N)O2
InChIInChI=1S/C17H18N4O3/c1-3-4-11-15-14(9-5-6-12(22)13(7-9)23-2)10(8-18)16(19)24-17(15)21-20-11/h5-7,14,22H,3-4,19H2,1-2H3,(H,20,21)
InChIKeyKSZQNQVOKLANHH-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.29
Rot. Bonds4

About 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 652676) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID652676
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1ccc(O)c(OC)c1)C(C#N)=C(N)O2
InChIInChI=1S/C17H18N4O3/c1-3-4-11-15-14(9-5-6-12(22)13(7-9)23-2)10(8-18)16(19)24-17(15)21-20-11/h5-7,14,22H,3-4,19H2,1-2H3,(H,20,21)
InChIKeyKSZQNQVOKLANHH-UHFFFAOYSA-N
XLogP2.29
TPSA117.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 652676) is 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1[nH]nc2c1C(c1ccc(O)c(OC)c1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is KSZQNQVOKLANHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-4-11-15-14(9-5-6-12(22)13(7-9)23-2)10(8-18)16(19)24-17(15)21-20-11/h5-7,14,22H,3-4,19H2,1-2H3,(H,20,21).
What are the key properties of 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 652676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).