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

C14H14N4O4 — CID 902403

IUPAC(4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
SMILESCOc1ccc([C@H]2C([N+](=O)[O-])=C(N)Oc3n[nH]c(C)c32)cc1
InChIInChI=1S/C14H14N4O4/c1-7-10-11(8-3-5-9(21-2)6-4-8)12(18(19)20)13(15)22-14(10)17-16-7/h3-6,11H,15H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyYXHFZODRYRFMBM-LLVKDONJSA-N
MW302.29 g/mol
LogP1.66
Rot. Bonds3

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

(4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine (PubChem CID 902403) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is (4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine.

Molecular Properties

Compound Name(4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
PubChem CID902403
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name(4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
SMILESCOc1ccc([C@H]2C([N+](=O)[O-])=C(N)Oc3n[nH]c(C)c32)cc1
InChIInChI=1S/C14H14N4O4/c1-7-10-11(8-3-5-9(21-2)6-4-8)12(18(19)20)13(15)22-14(10)17-16-7/h3-6,11H,15H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyYXHFZODRYRFMBM-LLVKDONJSA-N
XLogP1.66
TPSA116.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.66
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'}

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Related Compounds

4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
CID 102138517
(4R)-2-amino-4-(4-methoxyphenyl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one
CID 1089612
[4-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] acetate
CID 689131
5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
CID 170875522
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
6-amino-4-(3,5-dimethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156333
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
(4S)-6-amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743737
6-amino-4-(2,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2832260
1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone
CID 171976478
(4R)-6-amino-4-(4-cyanophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675952

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
The IUPAC name of (4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine (CID 902403) is (4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine.
What is the SMILES notation for (4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
The canonical SMILES for (4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine is COc1ccc([C@H]2C([N+](=O)[O-])=C(N)Oc3n[nH]c(C)c32)cc1.
What is the InChIKey of (4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
The InChIKey is YXHFZODRYRFMBM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-7-10-11(8-3-5-9(21-2)6-4-8)12(18(19)20)13(15)22-14(10)17-16-7/h3-6,11H,15H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
(4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine has a molecular weight of 302.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine is sourced from PubChem (CID 902403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).