N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide

C13H16N4O2 — CID 110467832

IUPACN-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCN(C)c1ccc(CNC(=O)C2=NNC(=O)C2)cc1
InChIInChI=1S/C13H16N4O2/c1-17(2)10-5-3-9(4-6-10)8-14-13(19)11-7-12(18)16-15-11/h3-6H,7-8H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyPPRLGAPSUYPHJP-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.24
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 110467832) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID110467832
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCN(C)c1ccc(CNC(=O)C2=NNC(=O)C2)cc1
InChIInChI=1S/C13H16N4O2/c1-17(2)10-5-3-9(4-6-10)8-14-13(19)11-7-12(18)16-15-11/h3-6H,7-8H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyPPRLGAPSUYPHJP-UHFFFAOYSA-N
XLogP0.24
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467740
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787483
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 32755354
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
CID 17452742
N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
CID 61378453
6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793378
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443698
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 26819882
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 110467832) is N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide is CN(C)c1ccc(CNC(=O)C2=NNC(=O)C2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is PPRLGAPSUYPHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(2)10-5-3-9(4-6-10)8-14-13(19)11-7-12(18)16-15-11/h3-6H,7-8H2,1-2H3,(H,14,19)(H,16,18).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110467832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).