N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide

C14H18N4O — CID 60664694

IUPACN,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
SMILESCN(C)C(=O)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C14H18N4O/c1-18(2)13(19)10-15-8-12-9-16-17-14(12)11-6-4-3-5-7-11/h3-7,9,15H,8,10H2,1-2H3,(H,16,17)
InChIKeyOLRDGDNLTVPBBE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.25
Rot. Bonds5

About N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide

N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide (PubChem CID 60664694) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
PubChem CID60664694
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
SMILESCN(C)C(=O)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C14H18N4O/c1-18(2)13(19)10-15-8-12-9-16-17-14(12)11-6-4-3-5-7-11/h3-7,9,15H,8,10H2,1-2H3,(H,16,17)
InChIKeyOLRDGDNLTVPBBE-UHFFFAOYSA-N
XLogP1.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
N'-methyl-N'-[[5-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671019
2-[(3S,5R)-3-amino-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)piperidin-1-yl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone
CID 67977926
Ipazilide
CID 60650
2-cyano-N-cycloheptyl-3-(3-phenyl-1H-pyrazol-4-yl)acrylamide
CID 844509
1-(2-{[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]amino}ethyl)piperidine-3-carboxamide
CID 16191029
2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
CID 135650782
(E)-N-(2-oxo-2-(2-((3-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)ethyl)benzamide
CID 135425046
N-benzyl-1H-pyrazole-5-carboxamide
CID 674411
2-cyano-N-cyclohexyl-3-[3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylamide
CID 840931
1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 3915663
2-cyano-N-(1-phenylethyl)-3-(3-phenyl-1H-pyrazol-4-yl)acrylamide
CID 6199954

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide (CID 60664694) is N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide is CN(C)C(=O)CNCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide?
The InChIKey is OLRDGDNLTVPBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(2)13(19)10-15-8-12-9-16-17-14(12)11-6-4-3-5-7-11/h3-7,9,15H,8,10H2,1-2H3,(H,16,17).
What are the key properties of N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide?
N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 60664694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).