3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide

C16H22N4O — CID 66121147

IUPAC3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cc(CC)nn2C)c1
InChIInChI=1S/C16H22N4O/c1-4-13-10-15(20(3)19-13)16(21)18-14-8-6-7-12(9-14)11-17-5-2/h6-10,17H,4-5,11H2,1-3H3,(H,18,21)
InChIKeyHUCCXXMVSSAJKM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.34
Rot. Bonds6

About 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide

3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 66121147) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID66121147
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cc(CC)nn2C)c1
InChIInChI=1S/C16H22N4O/c1-4-13-10-15(20(3)19-13)16(21)18-14-8-6-7-12(9-14)11-17-5-2/h6-10,17H,4-5,11H2,1-3H3,(H,18,21)
InChIKeyHUCCXXMVSSAJKM-UHFFFAOYSA-N
XLogP2.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262
N-(3-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119749
3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide
CID 138030778
3-ethyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 77113197
N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120501
N-[(3-aminophenyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121298
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648
N-[3-(chloromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114293272
N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide (CID 66121147) is 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide is CCNCc1cccc(NC(=O)c2cc(CC)nn2C)c1.
What is the InChIKey of 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is HUCCXXMVSSAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-13-10-15(20(3)19-13)16(21)18-14-8-6-7-12(9-14)11-17-5-2/h6-10,17H,4-5,11H2,1-3H3,(H,18,21).
What are the key properties of 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide?
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66121147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).