2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide

C13H23N5O — CID 70718457

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCCN1CCCC1
InChIInChI=1S/C13H23N5O/c1-9-11(10(2)17-16-9)12(14)13(19)15-5-8-18-6-3-4-7-18/h12H,3-8,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyJBFKNGDUPZUSLH-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.24
Rot. Bonds5

About 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 70718457) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID70718457
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCCN1CCCC1
InChIInChI=1S/C13H23N5O/c1-9-11(10(2)17-16-9)12(14)13(19)15-5-8-18-6-3-4-7-18/h12H,3-8,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyJBFKNGDUPZUSLH-UHFFFAOYSA-N
XLogP0.24
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 70718457) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide is Cc1n[nH]c(C)c1C(N)C(=O)NCCN1CCCC1.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is JBFKNGDUPZUSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-11(10(2)17-16-9)12(14)13(19)15-5-8-18-6-3-4-7-18/h12H,3-8,14H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 70718457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).