(2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

C17H21N5O — CID 71926848

IUPAC(2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3ccnc(C4CC4)n3)C2)n[nH]1
InChIInChI=1S/C17H21N5O/c1-11-9-15(21-20-11)13-3-2-8-22(10-13)17(23)14-6-7-18-16(19-14)12-4-5-12/h6-7,9,12-13H,2-5,8,10H2,1H3,(H,20,21)
InChIKeyRATSVSDBLYJINF-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.41
Rot. Bonds3

About (2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

(2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 71926848) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID71926848
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3ccnc(C4CC4)n3)C2)n[nH]1
InChIInChI=1S/C17H21N5O/c1-11-9-15(21-20-11)13-3-2-8-22(10-13)17(23)14-6-7-18-16(19-14)12-4-5-12/h6-7,9,12-13H,2-5,8,10H2,1H3,(H,20,21)
InChIKeyRATSVSDBLYJINF-UHFFFAOYSA-N
XLogP2.41
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (CID 71926848) is (2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)c3ccnc(C4CC4)n3)C2)n[nH]1.
What is the InChIKey of (2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is RATSVSDBLYJINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-9-15(21-20-11)13-3-2-8-22(10-13)17(23)14-6-7-18-16(19-14)12-4-5-12/h6-7,9,12-13H,2-5,8,10H2,1H3,(H,20,21).
What are the key properties of (2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
(2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71926848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).