8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole

C11H10N2O — CID 15519356

IUPAC8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCc1ccc2c(c1)-c1[nH]ncc1CO2
InChIInChI=1S/C11H10N2O/c1-7-2-3-10-9(4-7)11-8(6-14-10)5-12-13-11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyPOVOWZPCMFCVOR-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.28
Rot. Bonds

About 8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole

8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 15519356) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID15519356
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCc1ccc2c(c1)-c1[nH]ncc1CO2
InChIInChI=1S/C11H10N2O/c1-7-2-3-10-9(4-7)11-8(6-14-10)5-12-13-11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyPOVOWZPCMFCVOR-UHFFFAOYSA-N
XLogP2.28
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole
CID 45094431
6-methyl-1H-indazole;molecular hydrogen
CID 142103069
N-(2,5-difluorophenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20882220
ethane;1-methyl-4-(2-methyl-6H-benzo[c][1]benzoxepin-11-ylidene)piperidine
CID 90926710
3-(dimethylaminomethylidene)-6-methylchromen-4-one
CID 68547419
4-chloro-6-methyl-2H-chromene-3-carbaldehyde
CID 10488611
3-(4-chlorophenyl)-9-methyl-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazole
CID 3079084
5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole
CID 63734143
3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol
CID 143310074
5-(6-methyl-2H-chromen-4-yl)-1H-imidazole
CID 169088004
2-fluoro-8-methyl-6H-benzo[c]chromen-3-ol
CID 167531647
3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine
CID 1489660

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole (CID 15519356) is 8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole is Cc1ccc2c(c1)-c1[nH]ncc1CO2.
What is the InChIKey of 8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is POVOWZPCMFCVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-7-2-3-10-9(4-7)11-8(6-14-10)5-12-13-11/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole?
8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 186.21 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 15519356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).