4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide

C17H16ClN5O2 — CID 162671094

IUPAC4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C17H16ClN5O2/c1-23-14(13(18)9-20-23)16(24)19-8-10-2-4-11(5-3-10)15-21-17(25-22-15)12-6-7-12/h2-5,9,12H,6-8H2,1H3,(H,19,24)
InChIKeyHUYNVWVVESNGEH-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.93
Rot. Bonds5

About 4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 162671094) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID162671094
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C17H16ClN5O2/c1-23-14(13(18)9-20-23)16(24)19-8-10-2-4-11(5-3-10)15-21-17(25-22-15)12-6-7-12/h2-5,9,12H,6-8H2,1H3,(H,19,24)
InChIKeyHUYNVWVVESNGEH-UHFFFAOYSA-N
XLogP2.93
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide (CID 162671094) is 4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NCc1ccc(-c2noc(C3CC3)n2)cc1.
What is the InChIKey of 4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is HUYNVWVVESNGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-23-14(13(18)9-20-23)16(24)19-8-10-2-4-11(5-3-10)15-21-17(25-22-15)12-6-7-12/h2-5,9,12H,6-8H2,1H3,(H,19,24).
What are the key properties of 4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 162671094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).