N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide

C20H29N3O2 — CID 91769825

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide
SMILESCCn1cc(CN(C)C(=O)c2cc(C(C)C)cc(C(C)C)c2O)cn1
InChIInChI=1S/C20H29N3O2/c1-7-23-12-15(10-21-23)11-22(6)20(25)18-9-16(13(2)3)8-17(14(4)5)19(18)24/h8-10,12-14,24H,7,11H2,1-6H3
InChIKeyYSKRUSGMRYXTFP-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.13
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide

N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide (PubChem CID 91769825) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide
PubChem CID91769825
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide
SMILESCCn1cc(CN(C)C(=O)c2cc(C(C)C)cc(C(C)C)c2O)cn1
InChIInChI=1S/C20H29N3O2/c1-7-23-12-15(10-21-23)11-22(6)20(25)18-9-16(13(2)3)8-17(14(4)5)19(18)24/h8-10,12-14,24H,7,11H2,1-6H3
InChIKeyYSKRUSGMRYXTFP-UHFFFAOYSA-N
XLogP4.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-5-isopropylphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 902212
3-Fluoro-2-hydroxy-5-(1-methylpyrazol-4-yl)benzaldehyde
CID 59599806
[4-(2-Hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone
CID 3914259
[4-(2-Hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone
CID 2537626
2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 31953145
2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394414
2-Hydroxy-5-[[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzoic acid
CID 46998164
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide
CID 47076872
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47466877
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 72010284
2-[1-(2-Hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 84593854
N-salicyloylfluoropyrazole
CID 129780142

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide (CID 91769825) is N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide is CCn1cc(CN(C)C(=O)c2cc(C(C)C)cc(C(C)C)c2O)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide?
The InChIKey is YSKRUSGMRYXTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-7-23-12-15(10-21-23)11-22(6)20(25)18-9-16(13(2)3)8-17(14(4)5)19(18)24/h8-10,12-14,24H,7,11H2,1-6H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide has a molecular weight of 343.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide is sourced from PubChem (CID 91769825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).