4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide

C15H28N4O — CID 62076734

IUPAC4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCCCCN(C(=O)c1n[nH]c(C(C)C)c1N)C(C)C
InChIInChI=1S/C15H28N4O/c1-6-7-8-9-19(11(4)5)15(20)14-12(16)13(10(2)3)17-18-14/h10-11H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyCFAOJSYQFHOVNR-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.16
Rot. Bonds7

About 4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide

4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 62076734) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID62076734
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCCCCN(C(=O)c1n[nH]c(C(C)C)c1N)C(C)C
InChIInChI=1S/C15H28N4O/c1-6-7-8-9-19(11(4)5)15(20)14-12(16)13(10(2)3)17-18-14/h10-11H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyCFAOJSYQFHOVNR-UHFFFAOYSA-N
XLogP3.16
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide (CID 62076734) is 4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide is CCCCCN(C(=O)c1n[nH]c(C(C)C)c1N)C(C)C.
What is the InChIKey of 4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is CFAOJSYQFHOVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-7-8-9-19(11(4)5)15(20)14-12(16)13(10(2)3)17-18-14/h10-11H,6-9,16H2,1-5H3,(H,17,18).
What are the key properties of 4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide?
4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).