2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide

C16H20N6OS — CID 29002537

IUPAC2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide
SMILESCCCn1cc(NC(=O)Cn2cc(C)c(-c3ccc(C)s3)n2)nn1
InChIInChI=1S/C16H20N6OS/c1-4-7-21-9-14(18-20-21)17-15(23)10-22-8-11(2)16(19-22)13-6-5-12(3)24-13/h5-6,8-9H,4,7,10H2,1-3H3,(H,17,23)
InChIKeyBZADZHJCJCRTBQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.87
Rot. Bonds6

About 2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide

2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide (PubChem CID 29002537) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide
PubChem CID29002537
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide
SMILESCCCn1cc(NC(=O)Cn2cc(C)c(-c3ccc(C)s3)n2)nn1
InChIInChI=1S/C16H20N6OS/c1-4-7-21-9-14(18-20-21)17-15(23)10-22-8-11(2)16(19-22)13-6-5-12(3)24-13/h5-6,8-9H,4,7,10H2,1-3H3,(H,17,23)
InChIKeyBZADZHJCJCRTBQ-UHFFFAOYSA-N
XLogP2.87
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
1-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
CID 125179432
5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 53017148
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522137
ethyl N-[1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]triazol-4-yl]carbamate
CID 112524316
2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 112525667
N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112527931
ethyl N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525340
N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112528702
methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112524017
ethyl N-[1-[2-[(2-methylpyrimidin-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524242

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide?
The IUPAC name of 2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide (CID 29002537) is 2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide is CCCn1cc(NC(=O)Cn2cc(C)c(-c3ccc(C)s3)n2)nn1.
What is the InChIKey of 2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide?
The InChIKey is BZADZHJCJCRTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-4-7-21-9-14(18-20-21)17-15(23)10-22-8-11(2)16(19-22)13-6-5-12(3)24-13/h5-6,8-9H,4,7,10H2,1-3H3,(H,17,23).
What are the key properties of 2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide?
2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(5-methylthiophen-2-yl)pyrazol-1-yl]-N-(1-propyltriazol-4-yl)acetamide is sourced from PubChem (CID 29002537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).