N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide

C15H28N4O — CID 119643471

IUPACN-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)NCC(N)(CC)CC)c1C
InChIInChI=1S/C15H28N4O/c1-6-9-19-12(5)13(11(4)18-19)14(20)17-10-15(16,7-2)8-3/h6-10,16H2,1-5H3,(H,17,20)
InChIKeyFHJNDOXFDJRXJU-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.16
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide

N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide (PubChem CID 119643471) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
PubChem CID119643471
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)NCC(N)(CC)CC)c1C
InChIInChI=1S/C15H28N4O/c1-6-9-19-12(5)13(11(4)18-19)14(20)17-10-15(16,7-2)8-3/h6-10,16H2,1-5H3,(H,17,20)
InChIKeyFHJNDOXFDJRXJU-UHFFFAOYSA-N
XLogP2.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide (CID 119643471) is N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide is CCCn1nc(C)c(C(=O)NCC(N)(CC)CC)c1C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The InChIKey is FHJNDOXFDJRXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-9-19-12(5)13(11(4)18-19)14(20)17-10-15(16,7-2)8-3/h6-10,16H2,1-5H3,(H,17,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 119643471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).