N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide

C14H25N3O2 — CID 77090336

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)C(O)CC(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)8-13(18)14(19)17(5)7-6-12-10(3)15-16-11(12)4/h9,13,18H,6-8H2,1-5H3,(H,15,16)
InChIKeyXKADKMPIVMANKX-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.43
Rot. Bonds6

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide (PubChem CID 77090336) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide
PubChem CID77090336
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)C(O)CC(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)8-13(18)14(19)17(5)7-6-12-10(3)15-16-11(12)4/h9,13,18H,6-8H2,1-5H3,(H,15,16)
InChIKeyXKADKMPIVMANKX-UHFFFAOYSA-N
XLogP1.43
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide (CID 77090336) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide is Cc1n[nH]c(C)c1CCN(C)C(=O)C(O)CC(C)C.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide?
The InChIKey is XKADKMPIVMANKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)8-13(18)14(19)17(5)7-6-12-10(3)15-16-11(12)4/h9,13,18H,6-8H2,1-5H3,(H,15,16).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide has a molecular weight of 267.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-hydroxy-N,4-dimethylpentanamide is sourced from PubChem (CID 77090336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).