(4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C17H18N4OS — CID 948950

IUPAC(4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1C1CCCCC1
InChIInChI=1S/C17H18N4OS/c18-9-11-13(10-5-2-1-3-6-10)14-15(12-7-4-8-23-12)20-21-17(14)22-16(11)19/h4,7-8,10,13H,1-3,5-6,19H2,(H,20,21)/t13-/m1/s1
InChIKeySKRJFINWCFYLSL-CYBMUJFWSA-N
MW326.43 g/mol
LogP3.89
Rot. Bonds2

About (4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 948950) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is (4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID948950
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name(4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1C1CCCCC1
InChIInChI=1S/C17H18N4OS/c18-9-11-13(10-5-2-1-3-6-10)14-15(12-7-4-8-23-12)20-21-17(14)22-16(11)19/h4,7-8,10,13H,1-3,5-6,19H2,(H,20,21)/t13-/m1/s1
InChIKeySKRJFINWCFYLSL-CYBMUJFWSA-N
XLogP3.89
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

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CID 3794572
(4R)-6-amino-4-cyclohexyl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
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6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
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6-amino-4-(4-methoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 146441668
(4R)-6-amino-4-(2-fluorophenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
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(4S)-6-amino-4-(furan-3-yl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
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6-amino-4-pyridin-1-ium-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4248530
6-amino-4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3155323
(4S)-6-amino-4-(3-methoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087851
6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946173
(4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 948950) is (4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1C1CCCCC1.
What is the InChIKey of (4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is SKRJFINWCFYLSL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4OS/c18-9-11-13(10-5-2-1-3-6-10)14-15(12-7-4-8-23-12)20-21-17(14)22-16(11)19/h4,7-8,10,13H,1-3,5-6,19H2,(H,20,21)/t13-/m1/s1.
What are the key properties of (4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 326.43 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 948950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).