3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

C22H22N6OS — CID 91818067

IUPAC3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C22H22N6OS/c29-22(16-4-1-5-18(14-16)28-10-3-9-23-28)24-17-7-11-27(12-8-17)21-15-19(25-26-21)20-6-2-13-30-20/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,24,29)(H,25,26)
InChIKeyDFIHPNTYZNEMIB-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.72
Rot. Bonds5

About 3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 91818067) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
PubChem CID91818067
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC Name3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C22H22N6OS/c29-22(16-4-1-5-18(14-16)28-10-3-9-23-28)24-17-7-11-27(12-8-17)21-15-19(25-26-21)20-6-2-13-30-20/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,24,29)(H,25,26)
InChIKeyDFIHPNTYZNEMIB-UHFFFAOYSA-N
XLogP3.72
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741702
4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528390
4-fluoro-N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741667
4-chloro-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741662
2-methylsulfanyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91632025
(2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide
CID 100745102
N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 91818068
3,4-diethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91904916
(1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100744723
3,4,5-trimethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91888122
4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 91818062
6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 91888166

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (CID 91818067) is 3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is DFIHPNTYZNEMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c29-22(16-4-1-5-18(14-16)28-10-3-9-23-28)24-17-7-11-27(12-8-17)21-15-19(25-26-21)20-6-2-13-30-20/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,24,29)(H,25,26).
What are the key properties of 3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 418.53 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91818067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).