N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide

C16H26N4O2 — CID 84595015

IUPACN-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C16H26N4O2/c1-10-14(11(2)19-18-10)12-7-6-8-20(12)13(21)9-17-15(22)16(3,4)5/h12H,6-9H2,1-5H3,(H,17,22)(H,18,19)
InChIKeyXAXUDLUQGQKOOC-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.85
Rot. Bonds3

About N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 84595015) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID84595015
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C16H26N4O2/c1-10-14(11(2)19-18-10)12-7-6-8-20(12)13(21)9-17-15(22)16(3,4)5/h12H,6-9H2,1-5H3,(H,17,22)(H,18,19)
InChIKeyXAXUDLUQGQKOOC-UHFFFAOYSA-N
XLogP1.85
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide (CID 84595015) is N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide is Cc1n[nH]c(C)c1C1CCCN1C(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is XAXUDLUQGQKOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-10-14(11(2)19-18-10)12-7-6-8-20(12)13(21)9-17-15(22)16(3,4)5/h12H,6-9H2,1-5H3,(H,17,22)(H,18,19).
What are the key properties of N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 84595015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).