N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

C22H25N3O2 — CID 8961836

IUPACN-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCC(C)COc1cccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C22H25N3O2/c1-17(2)16-27-21-11-7-8-19(12-21)22(26)24(3)14-18-13-23-25(15-18)20-9-5-4-6-10-20/h4-13,15,17H,14,16H2,1-3H3
InChIKeyMZEDRNFWTQPUMG-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.18
Rot. Bonds7

About N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 8961836) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID8961836
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCC(C)COc1cccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C22H25N3O2/c1-17(2)16-27-21-11-7-8-19(12-21)22(26)24(3)14-18-13-23-25(15-18)20-9-5-4-6-10-20/h4-13,15,17H,14,16H2,1-3H3
InChIKeyMZEDRNFWTQPUMG-UHFFFAOYSA-N
XLogP4.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
3-fluoro-4-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8962106
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
6-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 17458039
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 8962004
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47022940
4-chloro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24504608

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 8961836) is N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is CC(C)COc1cccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is MZEDRNFWTQPUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17(2)16-27-21-11-7-8-19(12-21)22(26)24(3)14-18-13-23-25(15-18)20-9-5-4-6-10-20/h4-13,15,17H,14,16H2,1-3H3.
What are the key properties of N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 8961836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).