N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide

C18H18N4O3S — CID 51999157

IUPACN-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)cc1
InChIInChI=1S/C18H18N4O3S/c1-3-25-13-8-6-12(7-9-13)19-17(23)14-11-16(22(2)21-14)20-18(24)15-5-4-10-26-15/h4-11H,3H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyAIQIMZJIBSLVMH-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.38
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide

N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide (PubChem CID 51999157) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
PubChem CID51999157
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)cc1
InChIInChI=1S/C18H18N4O3S/c1-3-25-13-8-6-12(7-9-13)19-17(23)14-11-16(22(2)21-14)20-18(24)15-5-4-10-26-15/h4-11H,3H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyAIQIMZJIBSLVMH-UHFFFAOYSA-N
XLogP3.38
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999156
N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999140
1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999241
N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999191
N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999178
N-[(2R)-butan-2-yl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999172
N-butan-2-yl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 56686277
5-(cyclopentanecarbonylamino)-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 51999549
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999279
N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide
CID 122301798
5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 51998966

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide (CID 51999157) is N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide is CCOc1ccc(NC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The InChIKey is AIQIMZJIBSLVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-3-25-13-8-6-12(7-9-13)19-17(23)14-11-16(22(2)21-14)20-18(24)15-5-4-10-26-15/h4-11H,3H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 51999157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).