(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide

C15H20N6O — CID 95768737

IUPAC(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cncc(N3CCC[C@H](C(N)=O)C3)n2)n1
InChIInChI=1S/C15H20N6O/c1-10-6-11(2)21(19-10)14-8-17-7-13(18-14)20-5-3-4-12(9-20)15(16)22/h6-8,12H,3-5,9H2,1-2H3,(H2,16,22)/t12-/m0/s1
InChIKeyWGXNDIPCIBRUTE-LBPRGKRZSA-N
MW300.37 g/mol
LogP0.98
Rot. Bonds3

About (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide

(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 95768737) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
PubChem CID95768737
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cncc(N3CCC[C@H](C(N)=O)C3)n2)n1
InChIInChI=1S/C15H20N6O/c1-10-6-11(2)21(19-10)14-8-17-7-13(18-14)20-5-3-4-12(9-20)15(16)22/h6-8,12H,3-5,9H2,1-2H3,(H2,16,22)/t12-/m0/s1
InChIKeyWGXNDIPCIBRUTE-LBPRGKRZSA-N
XLogP0.98
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331636
[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 133283095
2-(3,5-dimethylpyrazol-1-yl)-6-(3-pyrazol-1-ylpiperidin-1-yl)pyrazine
CID 133275726
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-(2,5-dimethylpyrazol-3-yl)piperidine-3-carboxamide
CID 67413079
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrazine
CID 133273834
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide
CID 114765128
N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide
CID 127282369
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 133273980
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 90514681
(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 95785321

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide (CID 95768737) is (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide is Cc1cc(C)n(-c2cncc(N3CCC[C@H](C(N)=O)C3)n2)n1.
What is the InChIKey of (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide?
The InChIKey is WGXNDIPCIBRUTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-6-11(2)21(19-10)14-8-17-7-13(18-14)20-5-3-4-12(9-20)15(16)22/h6-8,12H,3-5,9H2,1-2H3,(H2,16,22)/t12-/m0/s1.
What are the key properties of (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide?
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95768737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).