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

C13H17N3OS — CID 60767575

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESCc1[nH]ncc1CNC(=O)CCCc1cccs1
InChIInChI=1S/C13H17N3OS/c1-10-11(9-15-16-10)8-14-13(17)6-2-4-12-5-3-7-18-12/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyURLKVDBEKWSZQB-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.42
Rot. Bonds6

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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide (PubChem CID 60767575) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
PubChem CID60767575
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESCc1[nH]ncc1CNC(=O)CCCc1cccs1
InChIInChI=1S/C13H17N3OS/c1-10-11(9-15-16-10)8-14-13(17)6-2-4-12-5-3-7-18-12/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyURLKVDBEKWSZQB-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide (CID 60767575) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide is Cc1[nH]ncc1CNC(=O)CCCc1cccs1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is URLKVDBEKWSZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-11(9-15-16-10)8-14-13(17)6-2-4-12-5-3-7-18-12/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 263.37 g/mol, XLogP of 2.42, 6 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]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 60767575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).