3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide

C14H18N4O2S — CID 43546829

IUPAC3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1c(C)n[nH]c1C)c1cccs1
InChIInChI=1S/C14H18N4O2S/c1-8-14(9(2)18-17-8)16-13(20)7-11(15-10(3)19)12-5-4-6-21-12/h4-6,11H,7H2,1-3H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyHFMIHYUCXPRRMO-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.29
Rot. Bonds5

About 3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide (PubChem CID 43546829) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide
PubChem CID43546829
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1c(C)n[nH]c1C)c1cccs1
InChIInChI=1S/C14H18N4O2S/c1-8-14(9(2)18-17-8)16-13(20)7-11(15-10(3)19)12-5-4-6-21-12/h4-6,11H,7H2,1-3H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyHFMIHYUCXPRRMO-UHFFFAOYSA-N
XLogP2.29
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide (CID 43546829) is 3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1c(C)n[nH]c1C)c1cccs1.
What is the InChIKey of 3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is HFMIHYUCXPRRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8-14(9(2)18-17-8)16-13(20)7-11(15-10(3)19)12-5-4-6-21-12/h4-6,11H,7H2,1-3H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 306.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 43546829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).