4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide

C14H26N4O — CID 79483753

IUPAC4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C14H26N4O/c1-6-11(7-2)18(8-10(3)4)14(19)13-12(15)9-17(5)16-13/h9-11H,6-8,15H2,1-5H3
InChIKeyODGGYEOIWQYNCK-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.29
Rot. Bonds6

About 4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide

4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide (PubChem CID 79483753) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide
PubChem CID79483753
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C14H26N4O/c1-6-11(7-2)18(8-10(3)4)14(19)13-12(15)9-17(5)16-13/h9-11H,6-8,15H2,1-5H3
InChIKeyODGGYEOIWQYNCK-UHFFFAOYSA-N
XLogP2.29
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide (CID 79483753) is 4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide is CCC(CC)N(CC(C)C)C(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide?
The InChIKey is ODGGYEOIWQYNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-11(7-2)18(8-10(3)4)14(19)13-12(15)9-17(5)16-13/h9-11H,6-8,15H2,1-5H3.
What are the key properties of 4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide?
4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 79483753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).