N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide

C11H13N3OS — CID 61021531

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCc1[nH]ncc1CNC(=O)Cc1ccsc1
InChIInChI=1S/C11H13N3OS/c1-8-10(6-13-14-8)5-12-11(15)4-9-2-3-16-7-9/h2-3,6-7H,4-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyZMHPOTLSWSFRHG-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.64
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 61021531) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
PubChem CID61021531
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCc1[nH]ncc1CNC(=O)Cc1ccsc1
InChIInChI=1S/C11H13N3OS/c1-8-10(6-13-14-8)5-12-11(15)4-9-2-3-16-7-9/h2-3,6-7H,4-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyZMHPOTLSWSFRHG-UHFFFAOYSA-N
XLogP1.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 62688839
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61022740
3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 61139058
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide
CID 54896479
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 60767686
2,2-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 65302432
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569662
3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946
5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61021663
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61003397

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide (CID 61021531) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide is Cc1[nH]ncc1CNC(=O)Cc1ccsc1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is ZMHPOTLSWSFRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-10(6-13-14-8)5-12-11(15)4-9-2-3-16-7-9/h2-3,6-7H,4-5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 235.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 61021531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).