N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C19H23N3O3 — CID 77097764

IUPACN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccc2c(c1)C(NC(=O)c1n[nH]c3c1CCC3)CC(C)(C)O2
InChIInChI=1S/C19H23N3O3/c1-19(2)10-15(13-9-11(24-3)7-8-16(13)25-19)20-18(23)17-12-5-4-6-14(12)21-22-17/h7-9,15H,4-6,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIPTWXPGQTUGMFC-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.94
Rot. Bonds3

About N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 77097764) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID77097764
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccc2c(c1)C(NC(=O)c1n[nH]c3c1CCC3)CC(C)(C)O2
InChIInChI=1S/C19H23N3O3/c1-19(2)10-15(13-9-11(24-3)7-8-16(13)25-19)20-18(23)17-12-5-4-6-14(12)21-22-17/h7-9,15H,4-6,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIPTWXPGQTUGMFC-UHFFFAOYSA-N
XLogP2.94
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125179947
5-ethyl-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125167898
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
CID 157017063
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100614396
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100610173
N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95119735
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylsulfanylbenzamide
CID 132653943
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 100622453

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 77097764) is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is COc1ccc2c(c1)C(NC(=O)c1n[nH]c3c1CCC3)CC(C)(C)O2.
What is the InChIKey of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is IPTWXPGQTUGMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2)10-15(13-9-11(24-3)7-8-16(13)25-19)20-18(23)17-12-5-4-6-14(12)21-22-17/h7-9,15H,4-6,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 77097764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).