4,4-dimethyl-1H-chromeno[3,4-d]pyrazole

C12H12N2O — CID 11571975

IUPAC4,4-dimethyl-1H-chromeno[3,4-d]pyrazole
SMILESCC1(C)Oc2ccccc2-c2[nH]ncc21
InChIInChI=1S/C12H12N2O/c1-12(2)9-7-13-14-11(9)8-5-3-4-6-10(8)15-12/h3-7H,1-2H3,(H,13,14)
InChIKeyJGWCAJXAVJSVBI-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.70
Rot. Bonds

About 4,4-dimethyl-1H-chromeno[3,4-d]pyrazole

4,4-dimethyl-1H-chromeno[3,4-d]pyrazole (PubChem CID 11571975) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4,4-dimethyl-1H-chromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name4,4-dimethyl-1H-chromeno[3,4-d]pyrazole
PubChem CID11571975
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4,4-dimethyl-1H-chromeno[3,4-d]pyrazole
SMILESCC1(C)Oc2ccccc2-c2[nH]ncc21
InChIInChI=1S/C12H12N2O/c1-12(2)9-7-13-14-11(9)8-5-3-4-6-10(8)15-12/h3-7H,1-2H3,(H,13,14)
InChIKeyJGWCAJXAVJSVBI-UHFFFAOYSA-N
XLogP2.70
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
5-(4-Butoxy-phenyl)-4-methyl-1H-pyrazole
CID 11322177
4,4-dimethyl-7-(2-methyloctan-2-yl)-1H-chromeno[3,4-d]pyrazol-9-ol
CID 135936176
7-Methoxy-4,5-dihydro-1H-benzo[g]indazole
CID 284711
2,4-Dihydrochromeno[4,3-c]pyrazole
CID 3785748
3,4-bis(4-methoxyphenyl)-1H-pyrazole
CID 3835198
(E)-3-fluoro-2-[[4-(4-methyl-1H-pyrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512238
(Z)-3-fluoro-2-[[4-(4-methyl-1H-pyrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369033

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1H-chromeno[3,4-d]pyrazole?
The IUPAC name of 4,4-dimethyl-1H-chromeno[3,4-d]pyrazole (CID 11571975) is 4,4-dimethyl-1H-chromeno[3,4-d]pyrazole.
What is the SMILES notation for 4,4-dimethyl-1H-chromeno[3,4-d]pyrazole?
The canonical SMILES for 4,4-dimethyl-1H-chromeno[3,4-d]pyrazole is CC1(C)Oc2ccccc2-c2[nH]ncc21.
What is the InChIKey of 4,4-dimethyl-1H-chromeno[3,4-d]pyrazole?
The InChIKey is JGWCAJXAVJSVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-12(2)9-7-13-14-11(9)8-5-3-4-6-10(8)15-12/h3-7H,1-2H3,(H,13,14).
What are the key properties of 4,4-dimethyl-1H-chromeno[3,4-d]pyrazole?
4,4-dimethyl-1H-chromeno[3,4-d]pyrazole has a molecular weight of 200.24 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1H-chromeno[3,4-d]pyrazole is sourced from PubChem (CID 11571975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).