1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone

C15H15N3O2 — CID 171976478

IUPAC1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone
SMILESCC(=O)C1=C(N)Oc2n[nH]c(C)c2C1c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-8-11-13(10-6-4-3-5-7-10)12(9(2)19)14(16)20-15(11)18-17-8/h3-7,13H,16H2,1-2H3,(H,17,18)
InChIKeyTZRNPCOVBBTCTL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.00
Rot. Bonds2

About 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone

1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone (PubChem CID 171976478) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone
PubChem CID171976478
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone
SMILESCC(=O)C1=C(N)Oc2n[nH]c(C)c2C1c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-8-11-13(10-6-4-3-5-7-10)12(9(2)19)14(16)20-15(11)18-17-8/h3-7,13H,16H2,1-2H3,(H,17,18)
InChIKeyTZRNPCOVBBTCTL-UHFFFAOYSA-N
XLogP2.00
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide
CID 40609287
[4-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] acetate
CID 689131
5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide
CID 132503264
(4R)-6-amino-4-(3-hydroxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675917
ethyl 6-amino-5-cyano-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-3-carboxylate
CID 110875310
(4R)-6-amino-4-(4-cyanophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675952
6-amino-3-methyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600130
5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
CID 170875522
(4S)-6-amino-4-(3-iodophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1034721
(4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
CID 902403
(4S)-6-amino-3-methyl-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 691815

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone?
The IUPAC name of 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone (CID 171976478) is 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone?
The canonical SMILES for 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone is CC(=O)C1=C(N)Oc2n[nH]c(C)c2C1c1ccccc1.
What is the InChIKey of 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone?
The InChIKey is TZRNPCOVBBTCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-8-11-13(10-6-4-3-5-7-10)12(9(2)19)14(16)20-15(11)18-17-8/h3-7,13H,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone?
1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone has a molecular weight of 269.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone is sourced from PubChem (CID 171976478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).