6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C17H13FN6O — CID 3241463

IUPAC6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1cn[nH]c1-c1ccc(F)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C17H13FN6O/c1-8-13-14(11(6-19)16(20)25-17(13)24-22-8)12-7-21-23-15(12)9-2-4-10(18)5-3-9/h2-5,7,14H,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyPHQCHPKZVHBAKL-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.47
Rot. Bonds2

About 6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3241463) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is 6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3241463
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1cn[nH]c1-c1ccc(F)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C17H13FN6O/c1-8-13-14(11(6-19)16(20)25-17(13)24-22-8)12-7-21-23-15(12)9-2-4-10(18)5-3-9/h2-5,7,14H,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyPHQCHPKZVHBAKL-UHFFFAOYSA-N
XLogP2.47
TPSA116.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3241463) is 6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1C(c1cn[nH]c1-c1ccc(F)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is PHQCHPKZVHBAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c1-8-13-14(11(6-19)16(20)25-17(13)24-22-8)12-7-21-23-15(12)9-2-4-10(18)5-3-9/h2-5,7,14H,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 336.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3241463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).