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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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).