(1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone

C15H19N5O — CID 110257135

IUPAC(1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1cncnc1C1CCCN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C15H19N5O/c1-11-6-16-10-17-14(11)12-4-3-5-20(9-12)15(21)13-7-18-19(2)8-13/h6-8,10,12H,3-5,9H2,1-2H3
InChIKeyWGVRMZAMADERAH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.54
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 110257135) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID110257135
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1cncnc1C1CCCN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C15H19N5O/c1-11-6-16-10-17-14(11)12-4-3-5-20(9-12)15(21)13-7-18-19(2)8-13/h6-8,10,12H,3-5,9H2,1-2H3
InChIKeyWGVRMZAMADERAH-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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Related Compounds

(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110256626
[3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110110996
[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 125004251
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 92564091
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110090247
[(3S)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823148
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 128954239
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 110257135) is (1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone is Cc1cncnc1C1CCCN(C(=O)c2cnn(C)c2)C1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is WGVRMZAMADERAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-6-16-10-17-14(11)12-4-3-5-20(9-12)15(21)13-7-18-19(2)8-13/h6-8,10,12H,3-5,9H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-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)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110257135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).