N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C17H17N3O3S — CID 55740476

IUPACN-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(OCCNC(=O)c2cc(-c3cccs3)[nH]n2)c1
InChIInChI=1S/C17H17N3O3S/c1-22-12-4-2-5-13(10-12)23-8-7-18-17(21)15-11-14(19-20-15)16-6-3-9-24-16/h2-6,9-11H,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeySGTNVVZLHGMRCD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.96
Rot. Bonds7

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

N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55740476) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55740476
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(OCCNC(=O)c2cc(-c3cccs3)[nH]n2)c1
InChIInChI=1S/C17H17N3O3S/c1-22-12-4-2-5-13(10-12)23-8-7-18-17(21)15-11-14(19-20-15)16-6-3-9-24-16/h2-6,9-11H,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeySGTNVVZLHGMRCD-UHFFFAOYSA-N
XLogP2.96
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
methyl 6-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propylcarbamoyl]pyridine-3-carboxylate
CID 131990251
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
2-(2-aminoethyl)-N-[3-(3-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120635005
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5395124
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121119294
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990257
N-[3-[(5-chlorofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990285
N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509038
5-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 3385609

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55740476) is N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is COc1cccc(OCCNC(=O)c2cc(-c3cccs3)[nH]n2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is SGTNVVZLHGMRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-22-12-4-2-5-13(10-12)23-8-7-18-17(21)15-11-14(19-20-15)16-6-3-9-24-16/h2-6,9-11H,7-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55740476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).