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

C15H12ClFN4O2 — CID 654470

IUPAC6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOCc1[nH]nc2c1C(c1c(F)cccc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C15H12ClFN4O2/c1-22-6-10-13-11(12-8(16)3-2-4-9(12)17)7(5-18)14(19)23-15(13)21-20-10/h2-4,11H,6,19H2,1H3,(H,20,21)
InChIKeyOWFZDMNTXFSBGZ-UHFFFAOYSA-N
MW334.74 g/mol
LogP2.57
Rot. Bonds3

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

6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 654470) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is 6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID654470
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC Name6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOCc1[nH]nc2c1C(c1c(F)cccc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C15H12ClFN4O2/c1-22-6-10-13-11(12-8(16)3-2-4-9(12)17)7(5-18)14(19)23-15(13)21-20-10/h2-4,11H,6,19H2,1H3,(H,20,21)
InChIKeyOWFZDMNTXFSBGZ-UHFFFAOYSA-N
XLogP2.57
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 654470) is 6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COCc1[nH]nc2c1C(c1c(F)cccc1Cl)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is OWFZDMNTXFSBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2/c1-22-6-10-13-11(12-8(16)3-2-4-9(12)17)7(5-18)14(19)23-15(13)21-20-10/h2-4,11H,6,19H2,1H3,(H,20,21).
What are the key properties of 6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 334.74 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-chloro-6-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 654470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).