1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide

C22H23N3O2 — CID 78872570

IUPAC1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCOc3ccccc32)cnn1Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-2-20-18(14-23-25(20)15-16-8-4-3-5-9-16)22(26)24-19-12-13-27-21-11-7-6-10-17(19)21/h3-11,14,19H,2,12-13,15H2,1H3,(H,24,26)
InChIKeyVULXRYWGPIYDRD-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.75
Rot. Bonds5

About 1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide

1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide (PubChem CID 78872570) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
PubChem CID78872570
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCOc3ccccc32)cnn1Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-2-20-18(14-23-25(20)15-16-8-4-3-5-9-16)22(26)24-19-12-13-27-21-11-7-6-10-17(19)21/h3-11,14,19H,2,12-13,15H2,1H3,(H,24,26)
InChIKeyVULXRYWGPIYDRD-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
CID 78873081
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614790
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 47007794
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614344
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042913
1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 112823781
1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120601726
1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide
CID 78873658
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
CID 8819779
N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873962
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide (CID 78872570) is 1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NC2CCOc3ccccc32)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide?
The InChIKey is VULXRYWGPIYDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-20-18(14-23-25(20)15-16-8-4-3-5-9-16)22(26)24-19-12-13-27-21-11-7-6-10-17(19)21/h3-11,14,19H,2,12-13,15H2,1H3,(H,24,26).
What are the key properties of 1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78872570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).