N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide

C22H21ClN6O2 — CID 55608652

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C22H21ClN6O2/c1-3-12-28(14-20-26-27-21(31-20)16-8-4-5-9-18(16)23)22(30)17-13-25-29(15(17)2)19-10-6-7-11-24-19/h4-11,13H,3,12,14H2,1-2H3
InChIKeyXWOPLNHFHSRJRX-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.33
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55608652) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55608652
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C22H21ClN6O2/c1-3-12-28(14-20-26-27-21(31-20)16-8-4-5-9-18(16)23)22(30)17-13-25-29(15(17)2)19-10-6-7-11-24-19/h4-11,13H,3,12,14H2,1-2H3
InChIKeyXWOPLNHFHSRJRX-UHFFFAOYSA-N
XLogP4.33
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55608652) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cnn(-c2ccccn2)c1C.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is XWOPLNHFHSRJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-3-12-28(14-20-26-27-21(31-20)16-8-4-5-9-18(16)23)22(30)17-13-25-29(15(17)2)19-10-6-7-11-24-19/h4-11,13H,3,12,14H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55608652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).