N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C20H22N4O2S — CID 121141691

IUPACN-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2)C1
InChIInChI=1S/C20H22N4O2S/c1-26-16-4-2-10-24(13-16)15-8-6-14(7-9-15)21-20(25)18-12-17(22-23-18)19-5-3-11-27-19/h3,5-9,11-12,16H,2,4,10,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyZAWKIUHOYHCKJS-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.01
Rot. Bonds5

About N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 121141691) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID121141691
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2)C1
InChIInChI=1S/C20H22N4O2S/c1-26-16-4-2-10-24(13-16)15-8-6-14(7-9-15)21-20(25)18-12-17(22-23-18)19-5-3-11-27-19/h3,5-9,11-12,16H,2,4,10,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyZAWKIUHOYHCKJS-UHFFFAOYSA-N
XLogP4.01
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 78901118
1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
CID 121141708
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55791101
4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141499
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 121141491
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 112834593
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 56557476
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 121141691) is N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is COC1CCCN(c2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is ZAWKIUHOYHCKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-26-16-4-2-10-24(13-16)15-8-6-14(7-9-15)21-20(25)18-12-17(22-23-18)19-5-3-11-27-19/h3,5-9,11-12,16H,2,4,10,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 121141691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).