4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C15H26N4O — CID 106006327

IUPAC4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCCC2CCCC2)c1N
InChIInChI=1S/C15H26N4O/c1-3-12-13(16)14(19(2)18-12)15(20)17-10-6-9-11-7-4-5-8-11/h11H,3-10,16H2,1-2H3,(H,17,20)
InChIKeyPPFUXJMVICOEBX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.26
Rot. Bonds6

About 4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide

4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 106006327) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID106006327
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCCC2CCCC2)c1N
InChIInChI=1S/C15H26N4O/c1-3-12-13(16)14(19(2)18-12)15(20)17-10-6-9-11-7-4-5-8-11/h11H,3-10,16H2,1-2H3,(H,17,20)
InChIKeyPPFUXJMVICOEBX-UHFFFAOYSA-N
XLogP2.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 106006327) is 4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCCCC2CCCC2)c1N.
What is the InChIKey of 4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is PPFUXJMVICOEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-12-13(16)14(19(2)18-12)15(20)17-10-6-9-11-7-4-5-8-11/h11H,3-10,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 106006327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).