4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide

C14H19N5O — CID 63361195

IUPAC4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCc2cnn(C)c2)c1
InChIInChI=1S/C14H19N5O/c1-18(2)14(20)11-4-5-12(15)13(6-11)16-7-10-8-17-19(3)9-10/h4-6,8-9,16H,7,15H2,1-3H3
InChIKeyNFZMULSWWJTMIH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.32
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide

4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide (PubChem CID 63361195) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
PubChem CID63361195
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCc2cnn(C)c2)c1
InChIInChI=1S/C14H19N5O/c1-18(2)14(20)11-4-5-12(15)13(6-11)16-7-10-8-17-19(3)9-10/h4-6,8-9,16H,7,15H2,1-3H3
InChIKeyNFZMULSWWJTMIH-UHFFFAOYSA-N
XLogP1.32
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide (CID 63361195) is 4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide is CN(C)C(=O)c1ccc(N)c(NCc2cnn(C)c2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is NFZMULSWWJTMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18(2)14(20)11-4-5-12(15)13(6-11)16-7-10-8-17-19(3)9-10/h4-6,8-9,16H,7,15H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 63361195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).