1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide

C15H20N4O — CID 102801381

IUPAC1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
SMILESCNC(C)c1ccc(NC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C15H20N4O/c1-10(16-3)12-5-7-13(8-6-12)17-15(20)14-9-19(4)18-11(14)2/h5-10,16H,1-4H3,(H,17,20)
InChIKeyAIGDQJLMYIVNBD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.26
Rot. Bonds4

About 1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide

1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide (PubChem CID 102801381) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
PubChem CID102801381
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
SMILESCNC(C)c1ccc(NC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C15H20N4O/c1-10(16-3)12-5-7-13(8-6-12)17-15(20)14-9-19(4)18-11(14)2/h5-10,16H,1-4H3,(H,17,20)
InChIKeyAIGDQJLMYIVNBD-UHFFFAOYSA-N
XLogP2.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801382
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801604
1,3-dimethyl-N-(4-nitrophenyl)pyrazole-4-carboxamide
CID 19474760
N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801384
N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103789989
4-hydroxy-2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 107671338
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 64950472
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide (CID 102801381) is 1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide is CNC(C)c1ccc(NC(=O)c2cn(C)nc2C)cc1.
What is the InChIKey of 1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is AIGDQJLMYIVNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(16-3)12-5-7-13(8-6-12)17-15(20)14-9-19(4)18-11(14)2/h5-10,16H,1-4H3,(H,17,20).
What are the key properties of 1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 102801381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).