4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide

C22H25N3O2 — CID 121498220

IUPAC4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
SMILESCc1cc(CC(C)NC(=O)c2ccc(-c3ccc(CCO)cc3)cc2)n[nH]1
InChIInChI=1S/C22H25N3O2/c1-15(13-21-14-16(2)24-25-21)23-22(27)20-9-7-19(8-10-20)18-5-3-17(4-6-18)11-12-26/h3-10,14-15,26H,11-13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyOLOOFRQGFODABK-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.28
Rot. Bonds7

About 4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide

4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide (PubChem CID 121498220) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
PubChem CID121498220
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
SMILESCc1cc(CC(C)NC(=O)c2ccc(-c3ccc(CCO)cc3)cc2)n[nH]1
InChIInChI=1S/C22H25N3O2/c1-15(13-21-14-16(2)24-25-21)23-22(27)20-9-7-19(8-10-20)18-5-3-17(4-6-18)11-12-26/h3-10,14-15,26H,11-13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyOLOOFRQGFODABK-UHFFFAOYSA-N
XLogP3.28
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dimethyl-4-pyridinyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 126423253
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 95219990
1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide
CID 56750222
3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 125438528
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 97004654
3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 126452566
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70708653
2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95148304
3,5-dimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 91761818
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131918393
1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
CID 56905367
2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 97234758

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The IUPAC name of 4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide (CID 121498220) is 4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide is Cc1cc(CC(C)NC(=O)c2ccc(-c3ccc(CCO)cc3)cc2)n[nH]1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The InChIKey is OLOOFRQGFODABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(13-21-14-16(2)24-25-21)23-22(27)20-9-7-19(8-10-20)18-5-3-17(4-6-18)11-12-26/h3-10,14-15,26H,11-13H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 121498220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).