4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide

C13H24N4O — CID 66125494

IUPAC4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CC)C(C)CC)c1N
InChIInChI=1S/C13H24N4O/c1-6-9(4)17(8-3)13(18)12-11(14)10(7-2)15-16(12)5/h9H,6-8,14H2,1-5H3
InChIKeyINCGLAAMRMFAQU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds5

About 4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide

4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66125494) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide
PubChem CID66125494
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CC)C(C)CC)c1N
InChIInChI=1S/C13H24N4O/c1-6-9(4)17(8-3)13(18)12-11(14)10(7-2)15-16(12)5/h9H,6-8,14H2,1-5H3
InChIKeyINCGLAAMRMFAQU-UHFFFAOYSA-N
XLogP1.83
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide (CID 66125494) is 4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(CC)C(C)CC)c1N.
What is the InChIKey of 4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is INCGLAAMRMFAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-9(4)17(8-3)13(18)12-11(14)10(7-2)15-16(12)5/h9H,6-8,14H2,1-5H3.
What are the key properties of 4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66125494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).