N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide

C19H27N5O2S — CID 71907546

IUPACN'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide
SMILESCCc1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCN(CC)CC2)s1
InChIInChI=1S/C19H27N5O2S/c1-3-15-5-6-16(27-15)13-20-18(25)19(26)22-17-7-10-21-24(17)14-8-11-23(4-2)12-9-14/h5-7,10,14H,3-4,8-9,11-13H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyXEKOBJCKMDFVFS-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.42
Rot. Bonds6

About N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide

N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide (PubChem CID 71907546) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide
PubChem CID71907546
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide
SMILESCCc1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCN(CC)CC2)s1
InChIInChI=1S/C19H27N5O2S/c1-3-15-5-6-16(27-15)13-20-18(25)19(26)22-17-7-10-21-24(17)14-8-11-23(4-2)12-9-14/h5-7,10,14H,3-4,8-9,11-13H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyXEKOBJCKMDFVFS-UHFFFAOYSA-N
XLogP2.42
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-butylpiperidin-4-yl)-N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]oxamide
CID 75392019
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 119836594
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide
CID 120640533
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide;dihydrochloride
CID 120640532
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide
CID 126775005
2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 26316039
N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56701108
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46970730
(3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51595159
N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
N-[2-[1-(2-amino-2-oxoethyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 56745480

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The IUPAC name of N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide (CID 71907546) is N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The canonical SMILES for N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide is CCc1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCN(CC)CC2)s1.
What is the InChIKey of N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The InChIKey is XEKOBJCKMDFVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-3-15-5-6-16(27-15)13-20-18(25)19(26)22-17-7-10-21-24(17)14-8-11-23(4-2)12-9-14/h5-7,10,14H,3-4,8-9,11-13H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide has a molecular weight of 389.53 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide is sourced from PubChem (CID 71907546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).