2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

C20H23N5O — CID 137425565

IUPAC2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H23N5O/c1-21-19(15-6-10-18(11-7-15)25(2)3)20(26)24-17-8-4-14(5-9-17)16-12-22-23-13-16/h4-13,19,21H,1-3H3,(H,22,23)(H,24,26)
InChIKeyPTJBMXMDROPHGV-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.04
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 137425565) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID137425565
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H23N5O/c1-21-19(15-6-10-18(11-7-15)25(2)3)20(26)24-17-8-4-14(5-9-17)16-12-22-23-13-16/h4-13,19,21H,1-3H3,(H,22,23)(H,24,26)
InChIKeyPTJBMXMDROPHGV-UHFFFAOYSA-N
XLogP3.04
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 137425565) is 2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is CNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is PTJBMXMDROPHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-21-19(15-6-10-18(11-7-15)25(2)3)20(26)24-17-8-4-14(5-9-17)16-12-22-23-13-16/h4-13,19,21H,1-3H3,(H,22,23)(H,24,26).
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 137425565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).