N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

C20H16ClN5O3 — CID 46971545

IUPACN-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2noc(-c3ccc(Cl)cc3)n2)[nH]n1
InChIInChI=1S/C20H16ClN5O3/c1-28-17-5-3-2-4-14(17)15-10-16(25-24-15)19(27)22-11-18-23-20(29-26-18)12-6-8-13(21)9-7-12/h2-10H,11H2,1H3,(H,22,27)(H,24,25)
InChIKeyUYTKNFPGJMCQHU-UHFFFAOYSA-N
MW409.83 g/mol
LogP3.72
Rot. Bonds6

About N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46971545) has the molecular formula C20H16ClN5O3 and a molecular weight of 409.83 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46971545
Molecular FormulaC20H16ClN5O3
Molecular Weight409.83 g/mol
Exact Mass409.09
IUPAC NameN-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2noc(-c3ccc(Cl)cc3)n2)[nH]n1
InChIInChI=1S/C20H16ClN5O3/c1-28-17-5-3-2-4-14(17)15-10-16(25-24-15)19(27)22-11-18-23-20(29-26-18)12-6-8-13(21)9-7-12/h2-10H,11H2,1H3,(H,22,27)(H,24,25)
InChIKeyUYTKNFPGJMCQHU-UHFFFAOYSA-N
XLogP3.72
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
3-(2-methoxyphenyl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 91819241
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920479
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide
CID 53049042
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dimethoxybenzamide
CID 53049034
3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
CID 162758998
3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165473
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90549359
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 74237284

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 46971545) is N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2noc(-c3ccc(Cl)cc3)n2)[nH]n1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UYTKNFPGJMCQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3/c1-28-17-5-3-2-4-14(17)15-10-16(25-24-15)19(27)22-11-18-23-20(29-26-18)12-6-8-13(21)9-7-12/h2-10H,11H2,1H3,(H,22,27)(H,24,25).
What are the key properties of N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 409.83 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46971545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).