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

C16H22N4O — CID 102801384

IUPACN-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCNC(C)c1cccc(NC(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C16H22N4O/c1-5-17-11(2)13-7-6-8-14(9-13)18-16(21)15-10-20(4)19-12(15)3/h6-11,17H,5H2,1-4H3,(H,18,21)
InChIKeyGHKBZNWQLSTLMF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds5

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

N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 102801384) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID102801384
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCNC(C)c1cccc(NC(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C16H22N4O/c1-5-17-11(2)13-7-6-8-14(9-13)18-16(21)15-10-20(4)19-12(15)3/h6-11,17H,5H2,1-4H3,(H,18,21)
InChIKeyGHKBZNWQLSTLMF-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

N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801382
N-[3-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-2-carboxamide
CID 43507835
3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 102810895
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158670361
N-[3-[1-(ethylamino)ethyl]phenyl]furan-2-carboxamide
CID 43507845
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
N-(3-carbamothioylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801518
N-[3-[1-(ethylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507852
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182293
2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507889

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide (CID 102801384) is N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide is CCNC(C)c1cccc(NC(=O)c2cn(C)nc2C)c1.
What is the InChIKey of N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is GHKBZNWQLSTLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-17-11(2)13-7-6-8-14(9-13)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-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[3-[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-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102801384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).