2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide

C17H23N5O — CID 154779289

IUPAC2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCCn1cc(CC(=O)N(C)c2cccnc2N2CCCC2)cn1
InChIInChI=1S/C17H23N5O/c1-3-22-13-14(12-19-22)11-16(23)20(2)15-7-6-8-18-17(15)21-9-4-5-10-21/h6-8,12-13H,3-5,9-11H2,1-2H3
InChIKeyBXXBUDOWPOZFNJ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.10
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide

2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide (PubChem CID 154779289) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide
PubChem CID154779289
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCCn1cc(CC(=O)N(C)c2cccnc2N2CCCC2)cn1
InChIInChI=1S/C17H23N5O/c1-3-22-13-14(12-19-22)11-16(23)20(2)15-7-6-8-18-17(15)21-9-4-5-10-21/h6-8,12-13H,3-5,9-11H2,1-2H3
InChIKeyBXXBUDOWPOZFNJ-UHFFFAOYSA-N
XLogP2.10
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide (CID 154779289) is 2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide is CCn1cc(CC(=O)N(C)c2cccnc2N2CCCC2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is BXXBUDOWPOZFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-22-13-14(12-19-22)11-16(23)20(2)15-7-6-8-18-17(15)21-9-4-5-10-21/h6-8,12-13H,3-5,9-11H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide?
2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 313.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 154779289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).