(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

C14H17N5O — CID 95845824

IUPAC(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC[C@H](c3ccncn3)C2)cn1
InChIInChI=1S/C14H17N5O/c1-18-8-12(7-17-18)14(20)19-6-2-3-11(9-19)13-4-5-15-10-16-13/h4-5,7-8,10-11H,2-3,6,9H2,1H3/t11-/m0/s1
InChIKeyWVZGGKOXYSBQNG-NSHDSACASA-N
MW271.32 g/mol
LogP1.23
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (PubChem CID 95845824) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
PubChem CID95845824
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC[C@H](c3ccncn3)C2)cn1
InChIInChI=1S/C14H17N5O/c1-18-8-12(7-17-18)14(20)19-6-2-3-11(9-19)13-4-5-15-10-16-13/h4-5,7-8,10-11H,2-3,6,9H2,1H3/t11-/m0/s1
InChIKeyWVZGGKOXYSBQNG-NSHDSACASA-N
XLogP1.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
(1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110257135
[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124996356
(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124980175
[4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126448387
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
2-methyl-2-(4-methylphenyl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 110114958
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110090247
3-(2-methylpyrazol-3-yl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 124989317
(4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110096144
[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95820010
6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 77083127

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (CID 95845824) is (1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is Cn1cc(C(=O)N2CCC[C@H](c3ccncn3)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The InChIKey is WVZGGKOXYSBQNG-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-8-12(7-17-18)14(20)19-6-2-3-11(9-19)13-4-5-15-10-16-13/h4-5,7-8,10-11H,2-3,6,9H2,1H3/t11-/m0/s1.
What are the key properties of (1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone has a molecular weight of 271.32 g/mol, XLogP of 1.23, 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)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95845824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).