2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

C19H19N3O2 — CID 51237804

IUPAC2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(O)c(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C19H19N3O2/c1-14-8-9-18(23)17(10-14)19(24)21(2)12-15-11-20-22(13-15)16-6-4-3-5-7-16/h3-11,13,23H,12H2,1-2H3
InChIKeyDZMRXGMVWNMFBI-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.16
Rot. Bonds4

About 2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 51237804) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID51237804
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(O)c(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C19H19N3O2/c1-14-8-9-18(23)17(10-14)19(24)21(2)12-15-11-20-22(13-15)16-6-4-3-5-7-16/h3-11,13,23H,12H2,1-2H3
InChIKeyDZMRXGMVWNMFBI-UHFFFAOYSA-N
XLogP3.16
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873937
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
2-chloro-N-methyl-5-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 78820035
7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
CID 55823560
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
2,3,5-trichloro-6-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112813676
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830424
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 51237804) is 2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is Cc1ccc(O)c(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is DZMRXGMVWNMFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-8-9-18(23)17(10-14)19(24)21(2)12-15-11-20-22(13-15)16-6-4-3-5-7-16/h3-11,13,23H,12H2,1-2H3.
What are the key properties of 2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 51237804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).