2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

C17H23N3O — CID 61003845

IUPAC2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C17H23N3O/c1-9-10(2)12(4)16(13(5)11(9)3)17(21)18-7-15-8-19-20-14(15)6/h8H,7H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyGASOYPGKJYHDTM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.19
Rot. Bonds3

About 2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 61003845) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID61003845
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C17H23N3O/c1-9-10(2)12(4)16(13(5)11(9)3)17(21)18-7-15-8-19-20-14(15)6/h8H,7H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyGASOYPGKJYHDTM-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946
N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 61022281
2,4-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 61022737
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61022740
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 60768162
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
3-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 61004398
N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 60767686
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
N-[(5-methyl-1H-pyrazol-4-yl)methyl]but-2-ynamide
CID 107989822
2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (CID 61003845) is 2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is Cc1[nH]ncc1CNC(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is GASOYPGKJYHDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-9-10(2)12(4)16(13(5)11(9)3)17(21)18-7-15-8-19-20-14(15)6/h8H,7H2,1-6H3,(H,18,21)(H,19,20).
What are the key properties of 2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 285.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 61003845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).