2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine

C14H19N5 — CID 125014329

IUPAC2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine
SMILESCn1nccc1-c1cncc(C[C@@H]2CCCNC2)n1
InChIInChI=1S/C14H19N5/c1-19-14(4-6-17-19)13-10-16-9-12(18-13)7-11-3-2-5-15-8-11/h4,6,9-11,15H,2-3,5,7-8H2,1H3/t11-/m0/s1
InChIKeyWLOXWWUUOVPZOS-NSHDSACASA-N
MW257.34 g/mol
LogP1.42
Rot. Bonds3

About 2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine

2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine (PubChem CID 125014329) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine
PubChem CID125014329
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine
SMILESCn1nccc1-c1cncc(C[C@@H]2CCCNC2)n1
InChIInChI=1S/C14H19N5/c1-19-14(4-6-17-19)13-10-16-9-12(18-13)7-11-3-2-5-15-8-11/h4,6,9-11,15H,2-3,5,7-8H2,1H3/t11-/m0/s1
InChIKeyWLOXWWUUOVPZOS-NSHDSACASA-N
XLogP1.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3R)-1-methylpiperidin-3-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrazine
CID 125010660
2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 58303582
2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine
CID 124976993
2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
CID 110131736
4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 146989000
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101564
2-methyl-6-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135525
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine
CID 80554998
2-(2-propylpyrazol-3-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
CID 124942689
2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102375
N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
CID 86336453

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine (CID 125014329) is 2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine is Cn1nccc1-c1cncc(C[C@@H]2CCCNC2)n1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine?
The InChIKey is WLOXWWUUOVPZOS-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5/c1-19-14(4-6-17-19)13-10-16-9-12(18-13)7-11-3-2-5-15-8-11/h4,6,9-11,15H,2-3,5,7-8H2,1H3/t11-/m0/s1.
What are the key properties of 2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine?
2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine has a molecular weight of 257.34 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 125014329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).