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

C18H17N3O2 — CID 24551539

IUPAC2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1O
InChIInChI=1S/C18H17N3O2/c1-20(18(23)16-9-5-6-10-17(16)22)12-14-11-19-21(13-14)15-7-3-2-4-8-15/h2-11,13,22H,12H2,1H3
InChIKeyKYWWVRXVSFQTNY-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.85
Rot. Bonds4

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

2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 24551539) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID24551539
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1O
InChIInChI=1S/C18H17N3O2/c1-20(18(23)16-9-5-6-10-17(16)22)12-14-11-19-21(13-14)15-7-3-2-4-8-15/h2-11,13,22H,12H2,1H3
InChIKeyKYWWVRXVSFQTNY-UHFFFAOYSA-N
XLogP2.85
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 51237804
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-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873937
N-methyl-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 134036021
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
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
2,3,5-trichloro-6-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112813676
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882
2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]sulfanylbenzoic acid
CID 17494555

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 24551539) is 2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is KYWWVRXVSFQTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-20(18(23)16-9-5-6-10-17(16)22)12-14-11-19-21(13-14)15-7-3-2-4-8-15/h2-11,13,22H,12H2,1H3.
What are the key properties of 2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24551539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).