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

C15H20N4O — CID 60971929

IUPACN,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccc(CC(=O)N(C)C)cc1)c1ccn[nH]1
InChIInChI=1S/C15H20N4O/c1-11(14-8-9-16-18-14)17-13-6-4-12(5-7-13)10-15(20)19(2)3/h4-9,11,17H,10H2,1-3H3,(H,16,18)
InChIKeyNXIIGDZUANPZIY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.21
Rot. Bonds5

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

N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide (PubChem CID 60971929) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide
PubChem CID60971929
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccc(CC(=O)N(C)C)cc1)c1ccn[nH]1
InChIInChI=1S/C15H20N4O/c1-11(14-8-9-16-18-14)17-13-6-4-12(5-7-13)10-15(20)19(2)3/h4-9,11,17H,10H2,1-3H3,(H,16,18)
InChIKeyNXIIGDZUANPZIY-UHFFFAOYSA-N
XLogP2.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.21
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-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide (CID 60971929) is N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide is CC(Nc1ccc(CC(=O)N(C)C)cc1)c1ccn[nH]1.
What is the InChIKey of N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide?
The InChIKey is NXIIGDZUANPZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(14-8-9-16-18-14)17-13-6-4-12(5-7-13)10-15(20)19(2)3/h4-9,11,17H,10H2,1-3H3,(H,16,18).
What are the key properties of N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide?
N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.21, 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-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 60971929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).