(1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C19H25N7O — CID 118472497

IUPAC(1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3cc(C(C)C)nn3C)C2)n2ncnc2n1
InChIInChI=1S/C19H25N7O/c1-12(2)15-9-17(24(4)23-15)18(27)25-7-5-6-14(10-25)16-8-13(3)22-19-20-11-21-26(16)19/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyPQFJJWJKEJEGKB-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.31
Rot. Bonds3

About (1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

(1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118472497) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is (1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118472497
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name(1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3cc(C(C)C)nn3C)C2)n2ncnc2n1
InChIInChI=1S/C19H25N7O/c1-12(2)15-9-17(24(4)23-15)18(27)25-7-5-6-14(10-25)16-8-13(3)22-19-20-11-21-26(16)19/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyPQFJJWJKEJEGKB-UHFFFAOYSA-N
XLogP2.31
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118472497) is (1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)c3cc(C(C)C)nn3C)C2)n2ncnc2n1.
What is the InChIKey of (1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is PQFJJWJKEJEGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-12(2)15-9-17(24(4)23-15)18(27)25-7-5-6-14(10-25)16-8-13(3)22-19-20-11-21-26(16)19/h8-9,11-12,14H,5-7,10H2,1-4H3.
What are the key properties of (1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 367.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-propan-2-ylpyrazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118472497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).