(4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C16H15ClN4O — CID 40549029

IUPAC(4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(Cl)c32)cc1
InChIInChI=1S/C16H15ClN4O/c1-2-3-9-4-6-10(7-5-9)12-11(8-18)15(19)22-16-13(12)14(17)20-21-16/h4-7,12H,2-3,19H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyQTOLSNXLWVIGLS-GFCCVEGCSA-N
MW314.78 g/mol
LogP3.23
Rot. Bonds3

About (4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 40549029) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is (4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID40549029
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name(4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(Cl)c32)cc1
InChIInChI=1S/C16H15ClN4O/c1-2-3-9-4-6-10(7-5-9)12-11(8-18)15(19)22-16-13(12)14(17)20-21-16/h4-7,12H,2-3,19H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyQTOLSNXLWVIGLS-GFCCVEGCSA-N
XLogP3.23
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-amino-4-(4-ethylphenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212687
6-amino-3-ethyl-4-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156166
(4R)-6-amino-3-propyl-4-(4-pyrrolidin-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40823212
(4R)-6-amino-3-ethyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 672938
6-amino-4-[4-[6-amino-5-cyano-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3402751
6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945590
(4R)-6-amino-4-(4-cyanophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675952
(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
(4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40552727
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
6-amino-3-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4620955

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 40549029) is (4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(Cl)c32)cc1.
What is the InChIKey of (4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is QTOLSNXLWVIGLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-2-3-9-4-6-10(7-5-9)12-11(8-18)15(19)22-16-13(12)14(17)20-21-16/h4-7,12H,2-3,19H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 314.78 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 40549029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).