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

C20H21N3O2 — CID 153113467

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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Related Compounds

2-(ethylamino)-2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425551
2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
CID 158988611
3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156562793
3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156568971
2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425585
2-(3-methoxyphenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425440
N,2-bis(4-methylphenyl)butanamide
CID 2750915
N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 51345697
1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654828
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
(2S)-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylbutanamide
CID 1026845
ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate
CID 86676947

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).