N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide

C16H22N4O — CID 102801382

IUPACN-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCNC(C)c1ccc(NC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C16H22N4O/c1-5-17-11(2)13-6-8-14(9-7-13)18-16(21)15-10-20(4)19-12(15)3/h6-11,17H,5H2,1-4H3,(H,18,21)
InChIKeyOATUHFYEIRHYGL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds5

About N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide

N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 102801382) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID102801382
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCNC(C)c1ccc(NC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C16H22N4O/c1-5-17-11(2)13-6-8-14(9-7-13)18-16(21)15-10-20(4)19-12(15)3/h6-11,17H,5H2,1-4H3,(H,18,21)
InChIKeyOATUHFYEIRHYGL-UHFFFAOYSA-N
XLogP2.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801384
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
1,3-dimethyl-N-(4-nitrophenyl)pyrazole-4-carboxamide
CID 19474760
N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801604
N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103789989
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
CID 104955781
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide (CID 102801382) is N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide is CCNC(C)c1ccc(NC(=O)c2cn(C)nc2C)cc1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is OATUHFYEIRHYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-17-11(2)13-6-8-14(9-7-13)18-16(21)15-10-20(4)19-12(15)3/h6-11,17H,5H2,1-4H3,(H,18,21).
What are the key properties of N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102801382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).