(2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

C16H26N4O — CID 53193393

IUPAC(2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C16H26N4O/c1-18-15(7-9-17-18)16(21)20-12-3-2-6-14(20)8-13-19-10-4-5-11-19/h7,9,14H,2-6,8,10-13H2,1H3
InChIKeyWZHWNIIULAVCIC-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.90
Rot. Bonds4

About (2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 53193393) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID53193393
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C16H26N4O/c1-18-15(7-9-17-18)16(21)20-12-3-2-6-14(20)8-13-19-10-4-5-11-19/h7,9,14H,2-6,8,10-13H2,1H3
InChIKeyWZHWNIIULAVCIC-UHFFFAOYSA-N
XLogP1.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (CID 53193393) is (2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is Cn1nccc1C(=O)N1CCCCC1CCN1CCCC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is WZHWNIIULAVCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-15(7-9-17-18)16(21)20-12-3-2-6-14(20)8-13-19-10-4-5-11-19/h7,9,14H,2-6,8,10-13H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53193393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).