N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide

C21H21N3O3 — CID 71824293

IUPACN-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NC2CCc3ccccc32)cc1OC
InChIInChI=1S/C21H21N3O3/c1-26-18-10-8-14(11-19(18)27-2)20-16(12-22-24-20)21(25)23-17-9-7-13-5-3-4-6-15(13)17/h3-6,8,10-12,17H,7,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDCBDXZWXGHFABT-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.51
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 71824293) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID71824293
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NC2CCc3ccccc32)cc1OC
InChIInChI=1S/C21H21N3O3/c1-26-18-10-8-14(11-19(18)27-2)20-16(12-22-24-20)21(25)23-17-9-7-13-5-3-4-6-15(13)17/h3-6,8,10-12,17H,7,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDCBDXZWXGHFABT-UHFFFAOYSA-N
XLogP3.51
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795147
N-(cyclohexylmethyl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824298
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 99642803
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 125431255
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
CID 55457966
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide
CID 171547623
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 91639554
5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 100906875
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 99995885
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303
2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302588

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide (CID 71824293) is N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)NC2CCc3ccccc32)cc1OC.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DCBDXZWXGHFABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-18-10-8-14(11-19(18)27-2)20-16(12-22-24-20)21(25)23-17-9-7-13-5-3-4-6-15(13)17/h3-6,8,10-12,17H,7,9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).