5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide

C15H21N5O — CID 119433437

IUPAC5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCNC)cnn1-c1ccccn1
InChIInChI=1S/C15H21N5O/c1-3-13-12(15(21)18-10-6-8-16-2)11-19-20(13)14-7-4-5-9-17-14/h4-5,7,9,11,16H,3,6,8,10H2,1-2H3,(H,18,21)
InChIKeyIRDCDHJLFLOKFH-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.17
Rot. Bonds7

About 5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide

5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 119433437) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID119433437
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCNC)cnn1-c1ccccn1
InChIInChI=1S/C15H21N5O/c1-3-13-12(15(21)18-10-6-8-16-2)11-19-20(13)14-7-4-5-9-17-14/h4-5,7,9,11,16H,3,6,8,10H2,1-2H3,(H,18,21)
InChIKeyIRDCDHJLFLOKFH-UHFFFAOYSA-N
XLogP1.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55660071
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55831374
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39043684
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 87043673
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 78867900
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
5-ethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 95286190

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 119433437) is 5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)NCCCNC)cnn1-c1ccccn1.
What is the InChIKey of 5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is IRDCDHJLFLOKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-13-12(15(21)18-10-6-8-16-2)11-19-20(13)14-7-4-5-9-17-14/h4-5,7,9,11,16H,3,6,8,10H2,1-2H3,(H,18,21).
What are the key properties of 5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119433437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).