1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide

C18H20ClN5O2 — CID 49031740

IUPAC1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
SMILESCC(C)c1noc(CCCNC(=O)c2cnn(-c3cccc(Cl)c3)c2)n1
InChIInChI=1S/C18H20ClN5O2/c1-12(2)17-22-16(26-23-17)7-4-8-20-18(25)13-10-21-24(11-13)15-6-3-5-14(19)9-15/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,20,25)
InChIKeyXFPCBCNSZPIEDU-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.39
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide (PubChem CID 49031740) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
PubChem CID49031740
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
SMILESCC(C)c1noc(CCCNC(=O)c2cnn(-c3cccc(Cl)c3)c2)n1
InChIInChI=1S/C18H20ClN5O2/c1-12(2)17-22-16(26-23-17)7-4-8-20-18(25)13-10-21-24(11-13)15-6-3-5-14(19)9-15/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,20,25)
InChIKeyXFPCBCNSZPIEDU-UHFFFAOYSA-N
XLogP3.39
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide (CID 49031740) is 1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide is CC(C)c1noc(CCCNC(=O)c2cnn(-c3cccc(Cl)c3)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is XFPCBCNSZPIEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-12(2)17-22-16(26-23-17)7-4-8-20-18(25)13-10-21-24(11-13)15-6-3-5-14(19)9-15/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,20,25).
What are the key properties of 1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 49031740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).