5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide

C13H17N3OS — CID 78876589

IUPAC5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(CC)s2)n[nH]1
InChIInChI=1S/C13H17N3OS/c1-3-9-7-12(16-15-9)13(17)14-8-11-6-5-10(4-2)18-11/h5-7H,3-4,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWGUKKYSGRVDTCH-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.53
Rot. Bonds5

About 5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide

5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 78876589) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID78876589
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(CC)s2)n[nH]1
InChIInChI=1S/C13H17N3OS/c1-3-9-7-12(16-15-9)13(17)14-8-11-6-5-10(4-2)18-11/h5-7H,3-4,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWGUKKYSGRVDTCH-UHFFFAOYSA-N
XLogP2.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide
CID 106011879
5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78876396
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 78863513
5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42148026
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46475867
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290
N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257144
N-[(4-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55972607
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033
5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78899603
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 78876589) is 5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCc2ccc(CC)s2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is WGUKKYSGRVDTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-9-7-12(16-15-9)13(17)14-8-11-6-5-10(4-2)18-11/h5-7H,3-4,8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78876589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).