N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C20H20F2N4OS — CID 55949675

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C20H20F2N4OS/c21-15-4-3-13(10-16(15)22)12-26-7-5-14(6-8-26)23-20(27)18-11-17(24-25-18)19-2-1-9-28-19/h1-4,9-11,14H,5-8,12H2,(H,23,27)(H,24,25)
InChIKeyOSADCARAJAJJCG-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.81
Rot. Bonds5

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55949675) has the molecular formula C20H20F2N4OS and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55949675
Molecular FormulaC20H20F2N4OS
Molecular Weight402.47 g/mol
Exact Mass402.13
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C20H20F2N4OS/c21-15-4-3-13(10-16(15)22)12-26-7-5-14(6-8-26)23-20(27)18-11-17(24-25-18)19-2-1-9-28-19/h1-4,9-11,14H,5-8,12H2,(H,23,27)(H,24,25)
InChIKeyOSADCARAJAJJCG-UHFFFAOYSA-N
XLogP3.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55957237
1-benzyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55836832
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 55836058
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90597429
N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119474401
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 78880496
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 136526672
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 154878663
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 111429721
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55949675) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is OSADCARAJAJJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4OS/c21-15-4-3-13(10-16(15)22)12-26-7-5-14(6-8-26)23-20(27)18-11-17(24-25-18)19-2-1-9-28-19/h1-4,9-11,14H,5-8,12H2,(H,23,27)(H,24,25).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55949675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).