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

C16H13Cl2N5O2 — CID 148742199

IUPAC6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1cc(Cl)cc(Cl)c1N=O)C(C#N)=C(N)O2
InChIInChI=1S/C16H13Cl2N5O2/c1-2-3-11-13-12(8-4-7(17)5-10(18)14(8)23-24)9(6-19)15(20)25-16(13)22-21-11/h4-5,12H,2-3,20H2,1H3,(H,21,22)
InChIKeyODBBYJSTMIBQLJ-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.29
Rot. Bonds4

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

6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 148742199) has the molecular formula C16H13Cl2N5O2 and a molecular weight of 378.22 g/mol. Its IUPAC name is 6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID148742199
Molecular FormulaC16H13Cl2N5O2
Molecular Weight378.22 g/mol
Exact Mass377.04
IUPAC Name6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1cc(Cl)cc(Cl)c1N=O)C(C#N)=C(N)O2
InChIInChI=1S/C16H13Cl2N5O2/c1-2-3-11-13-12(8-4-7(17)5-10(18)14(8)23-24)9(6-19)15(20)25-16(13)22-21-11/h4-5,12H,2-3,20H2,1H3,(H,21,22)
InChIKeyODBBYJSTMIBQLJ-UHFFFAOYSA-N
XLogP4.29
TPSA117.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

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Related Compounds

(4R)-6-amino-3-propyl-4-(2,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1003403
6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645658
(4S)-6-amino-4-(2-nitrophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743726
(4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743692
(4R)-6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 701227
6-amino-4-(furan-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3126434
(4R)-6-amino-4-(3,5-dichloro-2-hydroxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 854124
(4S)-6-amino-4-propan-2-yl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 742389
(4S)-6-amino-4-(3-methylthiophen-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 708190
6-amino-4-(5-bromothiophen-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156357
6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945590
6-amino-3-propyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946763

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 148742199) is 6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1[nH]nc2c1C(c1cc(Cl)cc(Cl)c1N=O)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is ODBBYJSTMIBQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O2/c1-2-3-11-13-12(8-4-7(17)5-10(18)14(8)23-24)9(6-19)15(20)25-16(13)22-21-11/h4-5,12H,2-3,20H2,1H3,(H,21,22).
What are the key properties of 6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 378.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3,5-dichloro-2-nitrosophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 148742199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).