N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide

C15H20N4O — CID 60972543

IUPACN,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(C)c1ccn[nH]1
InChIInChI=1S/C15H20N4O/c1-10-5-6-12(15(20)19(3)4)9-14(10)17-11(2)13-7-8-16-18-13/h5-9,11,17H,1-4H3,(H,16,18)
InChIKeyJIBPUUHIYZHJAV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.59
Rot. Bonds4

About N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide

N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide (PubChem CID 60972543) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
PubChem CID60972543
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(C)c1ccn[nH]1
InChIInChI=1S/C15H20N4O/c1-10-5-6-12(15(20)19(3)4)9-14(10)17-11(2)13-7-8-16-18-13/h5-9,11,17H,1-4H3,(H,16,18)
InChIKeyJIBPUUHIYZHJAV-UHFFFAOYSA-N
XLogP2.59
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide?
The IUPAC name of N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide (CID 60972543) is N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide?
The canonical SMILES for N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide is Cc1ccc(C(=O)N(C)C)cc1NC(C)c1ccn[nH]1.
What is the InChIKey of N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide?
The InChIKey is JIBPUUHIYZHJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-5-6-12(15(20)19(3)4)9-14(10)17-11(2)13-7-8-16-18-13/h5-9,11,17H,1-4H3,(H,16,18).
What are the key properties of N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide?
N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 60972543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).