3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide

C21H31N5O2 — CID 47926908

IUPAC3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)CCn1cc(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C21H31N5O2/c1-5-25(6-2)11-12-26-15-19(14-22-26)24-21(28)13-20(23-17(4)27)18-9-7-16(3)8-10-18/h7-10,14-15,20H,5-6,11-13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyHZPYVZXUXSQGFQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.74
Rot. Bonds10

About 3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide

3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide (PubChem CID 47926908) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide
PubChem CID47926908
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)CCn1cc(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C21H31N5O2/c1-5-25(6-2)11-12-26-15-19(14-22-26)24-21(28)13-20(23-17(4)27)18-9-7-16(3)8-10-18/h7-10,14-15,20H,5-6,11-13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyHZPYVZXUXSQGFQ-UHFFFAOYSA-N
XLogP2.74
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide
CID 81071014
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
CID 62638227
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
CID 60587081
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide
CID 46420486

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide (CID 47926908) is 3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide is CCN(CC)CCn1cc(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)cn1.
What is the InChIKey of 3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide?
The InChIKey is HZPYVZXUXSQGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-5-25(6-2)11-12-26-15-19(14-22-26)24-21(28)13-20(23-17(4)27)18-9-7-16(3)8-10-18/h7-10,14-15,20H,5-6,11-13H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 385.51 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 47926908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).