N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide

C23H22ClN5O3 — CID 55380701

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C
InChIInChI=1S/C23H22ClN5O3/c1-15(2)28(14-20-25-26-22(32-20)17-11-7-8-12-18(17)24)23(30)21-19(31-3)13-29(27-21)16-9-5-4-6-10-16/h4-13,15H,14H2,1-3H3
InChIKeyURGAMFKOGOJJNC-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.64
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 55380701) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID55380701
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C
InChIInChI=1S/C23H22ClN5O3/c1-15(2)28(14-20-25-26-22(32-20)17-11-7-8-12-18(17)24)23(30)21-19(31-3)13-29(27-21)16-9-5-4-6-10-16/h4-13,15H,14H2,1-3H3
InChIKeyURGAMFKOGOJJNC-UHFFFAOYSA-N
XLogP4.64
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.64
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]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide (CID 55380701) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is URGAMFKOGOJJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c1-15(2)28(14-20-25-26-22(32-20)17-11-7-8-12-18(17)24)23(30)21-19(31-3)13-29(27-21)16-9-5-4-6-10-16/h4-13,15H,14H2,1-3H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 4.64, 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]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 55380701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).