2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride

C12H21ClN4O — CID 119688876

IUPAC2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
SMILESCc1nn(C)c(C)c1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-8-12(9(2)16(3)15-8)14-11(17)7-10-5-4-6-13-10;/h10,13H,4-7H2,1-3H3,(H,14,17);1H
InChIKeyUWJTVQUVJKZOMZ-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.54
Rot. Bonds3

About 2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride

2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride (PubChem CID 119688876) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
PubChem CID119688876
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
SMILESCc1nn(C)c(C)c1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-8-12(9(2)16(3)15-8)14-11(17)7-10-5-4-6-13-10;/h10,13H,4-7H2,1-3H3,(H,14,17);1H
InChIKeyUWJTVQUVJKZOMZ-UHFFFAOYSA-N
XLogP1.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 80520060
2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688873
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119697911
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681127
2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55105252
N-(1,5-dimethylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119797911
N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 112741904
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 102683223
1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 55084391
N-(2-methyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119844533
2-(2-methylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51223569
N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide
CID 107463082

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride (CID 119688876) is 2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride is Cc1nn(C)c(C)c1NC(=O)CC1CCCN1.Cl.
What is the InChIKey of 2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride?
The InChIKey is UWJTVQUVJKZOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-8-12(9(2)16(3)15-8)14-11(17)7-10-5-4-6-13-10;/h10,13H,4-7H2,1-3H3,(H,14,17);1H.
What are the key properties of 2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride?
2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119688876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).