2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide

C21H24N4O — CID 158988611

IUPAC2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(N(C)C)c1
InChIInChI=1S/C21H24N4O/c1-4-20(16-6-5-7-19(12-16)25(2)3)21(26)24-18-10-8-15(9-11-18)17-13-22-23-14-17/h5-14,20H,4H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyJPWPQAXEFPOWBN-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.28
Rot. Bonds6

About 2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide

2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide (PubChem CID 158988611) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
PubChem CID158988611
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(N(C)C)c1
InChIInChI=1S/C21H24N4O/c1-4-20(16-6-5-7-19(12-16)25(2)3)21(26)24-18-10-8-15(9-11-18)17-13-22-23-14-17/h5-14,20H,4H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyJPWPQAXEFPOWBN-UHFFFAOYSA-N
XLogP4.28
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide?
The IUPAC name of 2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide (CID 158988611) is 2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide is CCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(N(C)C)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide?
The InChIKey is JPWPQAXEFPOWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-20(16-6-5-7-19(12-16)25(2)3)21(26)24-18-10-8-15(9-11-18)17-13-22-23-14-17/h5-14,20H,4H2,1-3H3,(H,22,23)(H,24,26).
What are the key properties of 2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide?
2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide has a molecular weight of 348.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 158988611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).