2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide

C16H22N4O — CID 77084137

IUPAC2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-20-15(10-12-18-20)16(21)17-11-7-13-19(2)14-8-5-4-6-9-14/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,17,21)
InChIKeyGLEBXXXAEQMTQB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.16
Rot. Bonds7

About 2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide

2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide (PubChem CID 77084137) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide
PubChem CID77084137
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-20-15(10-12-18-20)16(21)17-11-7-13-19(2)14-8-5-4-6-9-14/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,17,21)
InChIKeyGLEBXXXAEQMTQB-UHFFFAOYSA-N
XLogP2.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115761423
4-bromo-1-methyl-N-[3-(N-methylanilino)propyl]pyrrole-2-carboxamide
CID 43411208
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide
CID 53004624
1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide
CID 60566120
2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19475507
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
CID 65357594
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 37315939

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide (CID 77084137) is 2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of 2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide?
The InChIKey is GLEBXXXAEQMTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-20-15(10-12-18-20)16(21)17-11-7-13-19(2)14-8-5-4-6-9-14/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,17,21).
What are the key properties of 2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide?
2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 77084137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).