N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide

C12H22N4O — CID 114146447

IUPACN-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCCC(C)N
InChIInChI=1S/C12H22N4O/c1-4-16-11(8-10(3)15-16)12(17)14-7-5-6-9(2)13/h8-9H,4-7,13H2,1-3H3,(H,14,17)
InChIKeyKXEHQUZIVZLMRG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.07
Rot. Bonds6

About N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 114146447) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID114146447
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCCC(C)N
InChIInChI=1S/C12H22N4O/c1-4-16-11(8-10(3)15-16)12(17)14-7-5-6-9(2)13/h8-9H,4-7,13H2,1-3H3,(H,14,17)
InChIKeyKXEHQUZIVZLMRG-UHFFFAOYSA-N
XLogP1.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797
2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
CID 113351807
2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
CID 66120282
N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113223
N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66122444
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
1-ethyl-N-(5-hydroxy-4-methylpentyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103862380
N-(3-amino-3-hydroxyiminopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113224
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
N-(1-amino-4-methylpentan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119698
2-ethyl-N-(4-hydroxy-2-methylpentyl)-5-methylpyrazole-3-carboxamide
CID 111447589
2-ethyl-5-methyl-N-[3-(methylamino)-4-phenylpentyl]pyrazole-3-carboxamide
CID 123556874

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 114146447) is N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCCCC(C)N.
What is the InChIKey of N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is KXEHQUZIVZLMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-16-11(8-10(3)15-16)12(17)14-7-5-6-9(2)13/h8-9H,4-7,13H2,1-3H3,(H,14,17).
What are the key properties of N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 114146447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).