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

C18H24N6O — CID 71926740

IUPAC[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C2CCCN(C(=O)c3ccnc(N4CCCC4)n3)C2)n[nH]1
InChIInChI=1S/C18H24N6O/c1-13-11-16(22-21-13)14-5-4-10-24(12-14)17(25)15-6-7-19-18(20-15)23-8-2-3-9-23/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,21,22)
InChIKeyIGTAJMXELYMTAB-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.13
Rot. Bonds3

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

[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 71926740) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
PubChem CID71926740
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C2CCCN(C(=O)c3ccnc(N4CCCC4)n3)C2)n[nH]1
InChIInChI=1S/C18H24N6O/c1-13-11-16(22-21-13)14-5-4-10-24(12-14)17(25)15-6-7-19-18(20-15)23-8-2-3-9-23/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,21,22)
InChIKeyIGTAJMXELYMTAB-UHFFFAOYSA-N
XLogP2.13
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of [3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (CID 71926740) is [3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is Cc1cc(C2CCCN(C(=O)c3ccnc(N4CCCC4)n3)C2)n[nH]1.
What is the InChIKey of [3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is IGTAJMXELYMTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-11-16(22-21-13)14-5-4-10-24(12-14)17(25)15-6-7-19-18(20-15)23-8-2-3-9-23/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,21,22).
What are the key properties of [3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 71926740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).