N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide

C15H20N4O — CID 110336121

IUPACN-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C15H20N4O/c1-18(2)10-9-16-15(20)13-11-14(19(3)17-13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,20)
InChIKeyQCTWQPAQCHJYOC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.38
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide (PubChem CID 110336121) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
PubChem CID110336121
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C15H20N4O/c1-18(2)10-9-16-15(20)13-11-14(19(3)17-13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,20)
InChIKeyQCTWQPAQCHJYOC-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336165
N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 77083429
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide
CID 110336642
N-[2-(dimethylamino)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716905
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
CID 110615827

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide (CID 110336121) is N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccccc2)n(C)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
The InChIKey is QCTWQPAQCHJYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18(2)10-9-16-15(20)13-11-14(19(3)17-13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 110336121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).