N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide

C18H23N3O2 — CID 72864598

IUPACN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCOc1cc2c(cc1CNC(=O)CCCc1cn[nH]c1)CCC2
InChIInChI=1S/C18H23N3O2/c1-23-17-9-15-6-3-5-14(15)8-16(17)12-19-18(22)7-2-4-13-10-20-21-11-13/h8-11H,2-7,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyXVBCXWWHFZYMBA-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.55
Rot. Bonds7

About N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 72864598) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID72864598
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCOc1cc2c(cc1CNC(=O)CCCc1cn[nH]c1)CCC2
InChIInChI=1S/C18H23N3O2/c1-23-17-9-15-6-3-5-14(15)8-16(17)12-19-18(22)7-2-4-13-10-20-21-11-13/h8-11H,2-7,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyXVBCXWWHFZYMBA-UHFFFAOYSA-N
XLogP2.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 74250779
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide
CID 131938147
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 117340504
4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56872669
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131905145
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 97205400
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 74244689
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72848010
2-cyclopropyl-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 74247263
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylurea
CID 122572597

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide (CID 72864598) is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide is COc1cc2c(cc1CNC(=O)CCCc1cn[nH]c1)CCC2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is XVBCXWWHFZYMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-17-9-15-6-3-5-14(15)8-16(17)12-19-18(22)7-2-4-13-10-20-21-11-13/h8-11H,2-7,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 72864598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).