N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide

C23H28N4O — CID 125174941

IUPACN-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide
SMILESCCn1nc(C)c([C@H](C)NC(=O)c2cccc(-c3ccc(NC)cc3)c2)c1C
InChIInChI=1S/C23H28N4O/c1-6-27-17(4)22(16(3)26-27)15(2)25-23(28)20-9-7-8-19(14-20)18-10-12-21(24-5)13-11-18/h7-15,24H,6H2,1-5H3,(H,25,28)/t15-/m0/s1
InChIKeyJRMCOMUEJXPGOV-HNNXBMFYSA-N
MW376.50 g/mol
LogP4.72
Rot. Bonds6

About N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide

N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide (PubChem CID 125174941) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide
PubChem CID125174941
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide
SMILESCCn1nc(C)c([C@H](C)NC(=O)c2cccc(-c3ccc(NC)cc3)c2)c1C
InChIInChI=1S/C23H28N4O/c1-6-27-17(4)22(16(3)26-27)15(2)25-23(28)20-9-7-8-19(14-20)18-10-12-21(24-5)13-11-18/h7-15,24H,6H2,1-5H3,(H,25,28)/t15-/m0/s1
InChIKeyJRMCOMUEJXPGOV-HNNXBMFYSA-N
XLogP4.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97210670
methyl 4-[3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]phenyl]-1H-pyrrole-2-carboxylate
CID 122562398
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 118793475
1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea
CID 125164430
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 125159915
(1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81353172
N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide
CID 126446556
5-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 95230186
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 131916941
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19467077
N-[N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-methylphenyl)carbamimidoyl]-3-methylbenzamide
CID 46293039
3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide
CID 39782664

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide?
The IUPAC name of N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide (CID 125174941) is N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide?
The canonical SMILES for N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide is CCn1nc(C)c([C@H](C)NC(=O)c2cccc(-c3ccc(NC)cc3)c2)c1C.
What is the InChIKey of N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide?
The InChIKey is JRMCOMUEJXPGOV-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-6-27-17(4)22(16(3)26-27)15(2)25-23(28)20-9-7-8-19(14-20)18-10-12-21(24-5)13-11-18/h7-15,24H,6H2,1-5H3,(H,25,28)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide?
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide is sourced from PubChem (CID 125174941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).