4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

C14H13ClN6O2 — CID 119074643

IUPAC4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCc2nc(-c3cccnc3)no2)c1Cl
InChIInChI=1S/C14H13ClN6O2/c1-8-11(15)12(20-19-8)14(22)17-6-4-10-18-13(21-23-10)9-3-2-5-16-7-9/h2-3,5,7H,4,6H2,1H3,(H,17,22)(H,19,20)
InChIKeyKHUCLNGIDGGMTN-UHFFFAOYSA-N
MW332.75 g/mol
LogP1.79
Rot. Bonds5

About 4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 119074643) has the molecular formula C14H13ClN6O2 and a molecular weight of 332.75 g/mol. Its IUPAC name is 4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID119074643
Molecular FormulaC14H13ClN6O2
Molecular Weight332.75 g/mol
Exact Mass332.08
IUPAC Name4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCc2nc(-c3cccnc3)no2)c1Cl
InChIInChI=1S/C14H13ClN6O2/c1-8-11(15)12(20-19-8)14(22)17-6-4-10-18-13(21-23-10)9-3-2-5-16-7-9/h2-3,5,7H,4,6H2,1H3,(H,17,22)(H,19,20)
InChIKeyKHUCLNGIDGGMTN-UHFFFAOYSA-N
XLogP1.79
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
CID 119059891
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 90647929
4-methyl-N-[3-oxo-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]propyl]benzamide
CID 91772799
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-3-carboxamide
CID 4898022
N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521072
4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 121499652
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581201
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 71931147
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
2-methoxy-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72875071

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 119074643) is 4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCc2nc(-c3cccnc3)no2)c1Cl.
What is the InChIKey of 4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is KHUCLNGIDGGMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O2/c1-8-11(15)12(20-19-8)14(22)17-6-4-10-18-13(21-23-10)9-3-2-5-16-7-9/h2-3,5,7H,4,6H2,1H3,(H,17,22)(H,19,20).
What are the key properties of 4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 332.75 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119074643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).