N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C20H25N3O2 — CID 22516824

IUPACN-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC1CCCC(NC(=O)c2nn(C)c3c2COc2ccccc2-3)C1C
InChIInChI=1S/C20H25N3O2/c1-12-7-6-9-16(13(12)2)21-20(24)18-15-11-25-17-10-5-4-8-14(17)19(15)23(3)22-18/h4-5,8,10,12-13,16H,6-7,9,11H2,1-3H3,(H,21,24)
InChIKeyAZRPMSVRLKBCDT-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.53
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22516824) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22516824
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC1CCCC(NC(=O)c2nn(C)c3c2COc2ccccc2-3)C1C
InChIInChI=1S/C20H25N3O2/c1-12-7-6-9-16(13(12)2)21-20(24)18-15-11-25-17-10-5-4-8-14(17)19(15)23(3)22-18/h4-5,8,10,12-13,16H,6-7,9,11H2,1-3H3,(H,21,24)
InChIKeyAZRPMSVRLKBCDT-UHFFFAOYSA-N
XLogP3.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 22516824) is N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CC1CCCC(NC(=O)c2nn(C)c3c2COc2ccccc2-3)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is AZRPMSVRLKBCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-7-6-9-16(13(12)2)21-20(24)18-15-11-25-17-10-5-4-8-14(17)19(15)23(3)22-18/h4-5,8,10,12-13,16H,6-7,9,11H2,1-3H3,(H,21,24).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22516824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).