3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide

C15H20N4O — CID 54213581

IUPAC3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCN(C)c1nn(C)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H20N4O/c1-18(2)14-13(11-19(3)17-14)15(20)16-10-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,20)
InChIKeyPXPIXZQAHXYZIT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.46
Rot. Bonds5

About 3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide

3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide (PubChem CID 54213581) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
PubChem CID54213581
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCN(C)c1nn(C)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H20N4O/c1-18(2)14-13(11-19(3)17-14)15(20)16-10-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,20)
InChIKeyPXPIXZQAHXYZIT-UHFFFAOYSA-N
XLogP1.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372
3-(2,4-difluorophenyl)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 95900693
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623363
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-phenylethyl)benzamide
CID 51200205
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide (CID 54213581) is 3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide is CN(C)c1nn(C)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The InChIKey is PXPIXZQAHXYZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18(2)14-13(11-19(3)17-14)15(20)16-10-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,20).
What are the key properties of 3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 54213581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).