4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine

C15H16N4O4 — CID 102138517

IUPAC4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
SMILESCNC1=C([N+](=O)[O-])C(c2ccc(OC)cc2)c2c(n[nH]c2C)O1
InChIInChI=1S/C15H16N4O4/c1-8-11-12(9-4-6-10(22-3)7-5-9)13(19(20)21)15(16-2)23-14(11)18-17-8/h4-7,12,16H,1-3H3,(H,17,18)
InChIKeyBPZIURRBGITGKU-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.92
Rot. Bonds4

About 4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine

4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine (PubChem CID 102138517) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
PubChem CID102138517
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
SMILESCNC1=C([N+](=O)[O-])C(c2ccc(OC)cc2)c2c(n[nH]c2C)O1
InChIInChI=1S/C15H16N4O4/c1-8-11-12(9-4-6-10(22-3)7-5-9)13(19(20)21)15(16-2)23-14(11)18-17-8/h4-7,12,16H,1-3H3,(H,17,18)
InChIKeyBPZIURRBGITGKU-UHFFFAOYSA-N
XLogP1.92
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine with MolForge

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Related Compounds

(4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
CID 902403
8-(4-methoxyphenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 137178188
4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one
CID 132500190
5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
CID 170875522
6-imino-3-methyl-4-(4-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 91145623
methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate
CID 902303
[4-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] acetate
CID 689131
[4-(4-methoxyphenyl)-2-methyl-5-nitro-6-phenyl-1,4-dihydropyridin-3-yl]-phenylmethanone
CID 171904983
(4R)-2-amino-4-(4-methoxyphenyl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one
CID 1089612
5-amino-1-[6,12-dimethyl-8-(4-nitrophenyl)-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),3,6,9,11-pentaen-10-yl]-3-methylsulfanylpyrazole-4-carbonitrile
CID 16719411
6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3739288
(4S)-6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 682942

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine (CID 102138517) is 4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine is CNC1=C([N+](=O)[O-])C(c2ccc(OC)cc2)c2c(n[nH]c2C)O1.
What is the InChIKey of 4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
The InChIKey is BPZIURRBGITGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-8-11-12(9-4-6-10(22-3)7-5-9)13(19(20)21)15(16-2)23-14(11)18-17-8/h4-7,12,16H,1-3H3,(H,17,18).
What are the key properties of 4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine has a molecular weight of 316.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine is sourced from PubChem (CID 102138517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).