N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide

C14H26N4O — CID 81484328

IUPACN-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
SMILESCc1cc(C)n(CC(=O)N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-10(2)13(15)6-7-17(5)14(19)9-18-12(4)8-11(3)16-18/h8,10,13H,6-7,9,15H2,1-5H3
InChIKeyNKXOIROKSGFCSH-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.33
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide

N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide (PubChem CID 81484328) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
PubChem CID81484328
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
SMILESCc1cc(C)n(CC(=O)N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-10(2)13(15)6-7-17(5)14(19)9-18-12(4)8-11(3)16-18/h8,10,13H,6-7,9,15H2,1-5H3
InChIKeyNKXOIROKSGFCSH-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide (CID 81484328) is N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide is Cc1cc(C)n(CC(=O)N(C)CCC(N)C(C)C)n1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The InChIKey is NKXOIROKSGFCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)13(15)6-7-17(5)14(19)9-18-12(4)8-11(3)16-18/h8,10,13H,6-7,9,15H2,1-5H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide has a molecular weight of 266.39 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 81484328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).