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2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide

C20H21N3O2 — CID 153113467

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H21N3O2/c1-3-19(15-6-10-18(25-2)11-7-15)20(24)23-17-8-4-14(5-9-17)16-12-21-22-13-16/h4-13,19H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyVTJUKMHPXXCTGA-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.22
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide

2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide (PubChem CID 153113467) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
PubChem CID153113467
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H21N3O2/c1-3-19(15-6-10-18(25-2)11-7-15)20(24)23-17-8-4-14(5-9-17)16-12-21-22-13-16/h4-13,19H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyVTJUKMHPXXCTGA-UHFFFAOYSA-N
XLogP4.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide (CID 153113467) is 2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide is CCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide?
The InChIKey is VTJUKMHPXXCTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-19(15-6-10-18(25-2)11-7-15)20(24)23-17-8-4-14(5-9-17)16-12-21-22-13-16/h4-13,19H,3H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide?
2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide has a molecular weight of 335.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 153113467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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