N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide

C14H24N4O — CID 77096892

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)CN1CCCC1
InChIInChI=1S/C14H24N4O/c1-11-13(12(2)16-15-11)6-9-17(3)14(19)10-18-7-4-5-8-18/h4-10H2,1-3H3,(H,15,16)
InChIKeyRJZIOBLTPAFTOK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.12
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide (PubChem CID 77096892) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide
PubChem CID77096892
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)CN1CCCC1
InChIInChI=1S/C14H24N4O/c1-11-13(12(2)16-15-11)6-9-17(3)14(19)10-18-7-4-5-8-18/h4-10H2,1-3H3,(H,15,16)
InChIKeyRJZIOBLTPAFTOK-UHFFFAOYSA-N
XLogP1.12
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
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]-N-methyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide (CID 77096892) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide is Cc1n[nH]c(C)c1CCN(C)C(=O)CN1CCCC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is RJZIOBLTPAFTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-13(12(2)16-15-11)6-9-17(3)14(19)10-18-7-4-5-8-18/h4-10H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 264.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 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]-N-methyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 77096892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).