4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide

C20H29N3O2 — CID 111480687

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC(C)(C)CC(C)O)cc2)n1
InChIInChI=1S/C20H29N3O2/c1-14-10-15(2)23(22-14)12-17-6-8-18(9-7-17)19(25)21-13-20(4,5)11-16(3)24/h6-10,16,24H,11-13H2,1-5H3,(H,21,25)
InChIKeyJKXGLANTQJEKMM-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.08
Rot. Bonds7

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide (PubChem CID 111480687) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
PubChem CID111480687
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC(C)(C)CC(C)O)cc2)n1
InChIInChI=1S/C20H29N3O2/c1-14-10-15(2)23(22-14)12-17-6-8-18(9-7-17)19(25)21-13-20(4,5)11-16(3)24/h6-10,16,24H,11-13H2,1-5H3,(H,21,25)
InChIKeyJKXGLANTQJEKMM-UHFFFAOYSA-N
XLogP3.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 49014961
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110000615
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473587
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 48986640
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]benzamide
CID 100586131
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide
CID 95869297
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19294390
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-methylamino]-2-methylpropanoic acid
CID 119200513
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 95876220

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide (CID 111480687) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCC(C)(C)CC(C)O)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
The InChIKey is JKXGLANTQJEKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-10-15(2)23(22-14)12-17-6-8-18(9-7-17)19(25)21-13-20(4,5)11-16(3)24/h6-10,16,24H,11-13H2,1-5H3,(H,21,25).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide has a molecular weight of 343.47 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide is sourced from PubChem (CID 111480687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).