N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide

C13H24N4O — CID 107206783

IUPACN-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(C)CCCCCN
InChIInChI=1S/C13H24N4O/c1-4-17-12(10-11(2)15-17)13(18)16(3)9-7-5-6-8-14/h10H,4-9,14H2,1-3H3
InChIKeyNRXLVWPDCSVLHH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.41
Rot. Bonds7

About N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide

N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide (PubChem CID 107206783) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
PubChem CID107206783
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(C)CCCCCN
InChIInChI=1S/C13H24N4O/c1-4-17-12(10-11(2)15-17)13(18)16(3)9-7-5-6-8-14/h10H,4-9,14H2,1-3H3
InChIKeyNRXLVWPDCSVLHH-UHFFFAOYSA-N
XLogP1.41
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide (CID 107206783) is N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(C)CCCCCN.
What is the InChIKey of N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The InChIKey is NRXLVWPDCSVLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-17-12(10-11(2)15-17)13(18)16(3)9-7-5-6-8-14/h10H,4-9,14H2,1-3H3.
What are the key properties of N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 107206783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).