N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C18H23N3O3 — CID 125431572

IUPACN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@H](NC(=O)c1cc(C(C)C)[nH]n1)CC2
InChIInChI=1S/C18H23N3O3/c1-10(2)14-9-15(21-20-14)18(22)19-13-6-5-11-7-16(23-3)17(24-4)8-12(11)13/h7-10,13H,5-6H2,1-4H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyHMFDLNPRZYIHCY-CYBMUJFWSA-N
MW329.40 g/mol
LogP2.97
Rot. Bonds5

About N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 125431572) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID125431572
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@H](NC(=O)c1cc(C(C)C)[nH]n1)CC2
InChIInChI=1S/C18H23N3O3/c1-10(2)14-9-15(21-20-14)18(22)19-13-6-5-11-7-16(23-3)17(24-4)8-12(11)13/h7-10,13H,5-6H2,1-4H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyHMFDLNPRZYIHCY-CYBMUJFWSA-N
XLogP2.97
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 125433778
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 125431006
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 125431255
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 125432821
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 110399711
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 122714977
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 125433018
N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 176500601
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 125433415

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 125431572) is N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is COc1cc2c(cc1OC)[C@H](NC(=O)c1cc(C(C)C)[nH]n1)CC2.
What is the InChIKey of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is HMFDLNPRZYIHCY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-10(2)14-9-15(21-20-14)18(22)19-13-6-5-11-7-16(23-3)17(24-4)8-12(11)13/h7-10,13H,5-6H2,1-4H3,(H,19,22)(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125431572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).