N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide

C14H18N4O — CID 110685819

IUPACN-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N(C)C)cc2)nn1C
InChIInChI=1S/C14H18N4O/c1-10-9-13(16-18(10)4)14(19)15-11-5-7-12(8-6-11)17(2)3/h5-9H,1-4H3,(H,15,19)
InChIKeyPTIXEXVTDYUAKH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.05
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide

N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 110685819) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID110685819
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N(C)C)cc2)nn1C
InChIInChI=1S/C14H18N4O/c1-10-9-13(16-18(10)4)14(19)15-11-5-7-12(8-6-11)17(2)3/h5-9H,1-4H3,(H,15,19)
InChIKeyPTIXEXVTDYUAKH-UHFFFAOYSA-N
XLogP2.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 113290195
N-(4-bromo-3-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110685830
N-(3,5-difluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 163344155
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336418
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
CID 130485672
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
1,5-dimethyl-N-(phenylcarbamothioyl)pyrazole-3-carboxamide
CID 174530677
1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
CID 107496124
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide (CID 110685819) is N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N(C)C)cc2)nn1C.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is PTIXEXVTDYUAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-9-13(16-18(10)4)14(19)15-11-5-7-12(8-6-11)17(2)3/h5-9H,1-4H3,(H,15,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110685819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).