N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide

C18H18N4O3S — CID 51999191

IUPACN-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)cc1
InChIInChI=1S/C18H18N4O3S/c1-22-16(20-18(24)15-4-3-9-26-15)10-14(21-22)17(23)19-11-12-5-7-13(25-2)8-6-12/h3-10H,11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeySAGQHEGFCZCMCP-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.67
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide

N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide (PubChem CID 51999191) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
PubChem CID51999191
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)cc1
InChIInChI=1S/C18H18N4O3S/c1-22-16(20-18(24)15-4-3-9-26-15)10-14(21-22)17(23)19-11-12-5-7-13(25-2)8-6-12/h3-10H,11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeySAGQHEGFCZCMCP-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999279
N-(4-methoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999156
N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999178
N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999157
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
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-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46484966
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide (CID 51999191) is N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The InChIKey is SAGQHEGFCZCMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-22-16(20-18(24)15-4-3-9-26-15)10-14(21-22)17(23)19-11-12-5-7-13(25-2)8-6-12/h3-10H,11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 51999191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).