N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide

C18H17N3O2 — CID 7992482

IUPACN-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H17N3O2/c1-23-16-13-21(15-10-6-3-7-11-15)20-17(16)18(22)19-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,19,22)
InChIKeyHBQFXCGAWWBDQU-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.81
Rot. Bonds5

About N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide

N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 7992482) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID7992482
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H17N3O2/c1-23-16-13-21(15-10-6-3-7-11-15)20-17(16)18(22)19-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,19,22)
InChIKeyHBQFXCGAWWBDQU-UHFFFAOYSA-N
XLogP2.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 7992482) is N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is HBQFXCGAWWBDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-16-13-21(15-10-6-3-7-11-15)20-17(16)18(22)19-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,19,22).
What are the key properties of N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 7992482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).