(1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone

C15H19N5O — CID 95824598

IUPAC(1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCc1ccnc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C15H19N5O/c1-11-3-6-16-14(18-11)12-4-7-20(8-5-12)15(21)13-9-17-19(2)10-13/h3,6,9-10,12H,4-5,7-8H2,1-2H3
InChIKeyHKDTVMDQBDXEFE-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.54
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 95824598) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
PubChem CID95824598
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCc1ccnc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C15H19N5O/c1-11-3-6-16-14(18-11)12-4-7-20(8-5-12)15(21)13-9-17-19(2)10-13/h3,6,9-10,12H,4-5,7-8H2,1-2H3
InChIKeyHKDTVMDQBDXEFE-UHFFFAOYSA-N
XLogP1.54
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone (CID 95824598) is (1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone is Cc1ccnc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is HKDTVMDQBDXEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-3-6-16-14(18-11)12-4-7-20(8-5-12)15(21)13-9-17-19(2)10-13/h3,6,9-10,12H,4-5,7-8H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95824598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).