N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide

C18H28N4OS — CID 74251315

IUPACN-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)CCc2n[nH]c(C)c2C)s1
InChIInChI=1S/C18H28N4OS/c1-13-6-7-16(24-13)12-22(11-10-21(4)5)18(23)9-8-17-14(2)15(3)19-20-17/h6-7H,8-12H2,1-5H3,(H,19,20)
InChIKeyNQDJHAWSHIFHIN-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.92
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide

N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide (PubChem CID 74251315) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide
PubChem CID74251315
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)CCc2n[nH]c(C)c2C)s1
InChIInChI=1S/C18H28N4OS/c1-13-6-7-16(24-13)12-22(11-10-21(4)5)18(23)9-8-17-14(2)15(3)19-20-17/h6-7H,8-12H2,1-5H3,(H,19,20)
InChIKeyNQDJHAWSHIFHIN-UHFFFAOYSA-N
XLogP2.92
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide (CID 74251315) is N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide is Cc1ccc(CN(CCN(C)C)C(=O)CCc2n[nH]c(C)c2C)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is NQDJHAWSHIFHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-13-6-7-16(24-13)12-22(11-10-21(4)5)18(23)9-8-17-14(2)15(3)19-20-17/h6-7H,8-12H2,1-5H3,(H,19,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide?
N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 348.52 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 74251315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).