2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole

C11H9N3O3 — CID 171626364

IUPAC2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole
SMILESCn1cc2c(n1)-c1cccc([N+](=O)[O-])c1OC2
InChIInChI=1S/C11H9N3O3/c1-13-5-7-6-17-11-8(10(7)12-13)3-2-4-9(11)14(15)16/h2-5H,6H2,1H3
InChIKeyBSVOSHJOZAEMGC-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.89
Rot. Bonds1

About 2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole

2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole (PubChem CID 171626364) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole.

Molecular Properties

Compound Name2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole
PubChem CID171626364
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole
SMILESCn1cc2c(n1)-c1cccc([N+](=O)[O-])c1OC2
InChIInChI=1S/C11H9N3O3/c1-13-5-7-6-17-11-8(10(7)12-13)3-2-4-9(11)14(15)16/h2-5H,6H2,1H3
InChIKeyBSVOSHJOZAEMGC-UHFFFAOYSA-N
XLogP1.89
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Cambridge id 6430711
CID 3818293
methyl chromeno[4,3-c]pyrazole-2(4H)-carboxylate
CID 1485806
4-Fluoro-5-(2-methoxy-5-nitro-phenyl)-1-methyl-1H-pyrazole
CID 23139430
3-[2-[(2,6-Difluorophenyl)methoxy]-5-nitrophenyl]-4-(3,3-dimethylbut-1-ynyl)-1-methylpyrazole
CID 58691554
4-Tert-butyl-3-[2-[(2,6-difluorophenyl)methoxy]-5-nitrophenyl]-1-methylpyrazole
CID 71110601
1-[3-(2-Methoxy-3-nitrophenyl)pyrazol-1-yl]ethyl hypofluorite
CID 144625302
4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-1H-Pyrazole
CID 155755268
3-(1-Methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)aniline
CID 163387255
1-Methyl-3-[3-nitro-2-(2,2,2-trifluoroethoxy)phenyl]pyrazole
CID 163387317
4-[2-(Difluoromethoxy)-3-nitrophenyl]-1-methylpyrazole
CID 163387641
4-[2-Fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)phenyl]-1-methylpyrazole
CID 164563902
2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine
CID 171614663

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole?
The IUPAC name of 2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole (CID 171626364) is 2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole.
What is the SMILES notation for 2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole?
The canonical SMILES for 2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole is Cn1cc2c(n1)-c1cccc([N+](=O)[O-])c1OC2.
What is the InChIKey of 2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole?
The InChIKey is BSVOSHJOZAEMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-13-5-7-6-17-11-8(10(7)12-13)3-2-4-9(11)14(15)16/h2-5H,6H2,1H3.
What are the key properties of 2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole?
2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole has a molecular weight of 231.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitro-4H-chromeno[4,3-c]pyrazole is sourced from PubChem (CID 171626364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).