5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide

C15H18N6O2 — CID 95848569

IUPAC5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C15H18N6O2/c1-15(12-10(13(16)22)7-19-20-12)3-2-6-21(9-15)14(23)11-8-17-4-5-18-11/h4-5,7-8H,2-3,6,9H2,1H3,(H2,16,22)(H,19,20)/t15-/m0/s1
InChIKeyYNNNLYGWQMRJPJ-HNNXBMFYSA-N
MW314.35 g/mol
LogP0.49
Rot. Bonds3

About 5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide

5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 95848569) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID95848569
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C15H18N6O2/c1-15(12-10(13(16)22)7-19-20-12)3-2-6-21(9-15)14(23)11-8-17-4-5-18-11/h4-5,7-8H,2-3,6,9H2,1H3,(H2,16,22)(H,19,20)/t15-/m0/s1
InChIKeyYNNNLYGWQMRJPJ-HNNXBMFYSA-N
XLogP0.49
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848600
5-[3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 110272365
[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95848612
[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110256988
[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95824182
[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95848592
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110272338
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 110272344
[(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125008542
[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488597
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 95848569) is 5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide is C[C@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of 5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is YNNNLYGWQMRJPJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-15(12-10(13(16)22)7-19-20-12)3-2-6-21(9-15)14(23)11-8-17-4-5-18-11/h4-5,7-8H,2-3,6,9H2,1H3,(H2,16,22)(H,19,20)/t15-/m0/s1.
What are the key properties of 5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95848569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).