4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine

C17H21N7O — CID 127298016

IUPAC4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCc1cc(C)n(-c2cncc(N3CCOC(Cn4cccn4)C3)n2)n1
InChIInChI=1S/C17H21N7O/c1-13-8-14(2)24(21-13)17-10-18-9-16(20-17)22-6-7-25-15(11-22)12-23-5-3-4-19-23/h3-5,8-10,15H,6-7,11-12H2,1-2H3
InChIKeyBWFPMVRABSPWEP-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.38
Rot. Bonds4

About 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine

4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 127298016) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID127298016
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCc1cc(C)n(-c2cncc(N3CCOC(Cn4cccn4)C3)n2)n1
InChIInChI=1S/C17H21N7O/c1-13-8-14(2)24(21-13)17-10-18-9-16(20-17)22-6-7-25-15(11-22)12-23-5-3-4-19-23/h3-5,8-10,15H,6-7,11-12H2,1-2H3
InChIKeyBWFPMVRABSPWEP-UHFFFAOYSA-N
XLogP1.38
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-6-(3-pyrazol-1-ylpiperidin-1-yl)pyrazine
CID 133275726
4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133389617
N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine
CID 95286452
N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
CID 164639660
(2S)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95276399
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 99859516
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrazine
CID 133273834
4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133281937
(2R)-4-[(5-methylpyrazin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279141
2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole
CID 95277594
2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine
CID 133455643

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine (CID 127298016) is 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine is Cc1cc(C)n(-c2cncc(N3CCOC(Cn4cccn4)C3)n2)n1.
What is the InChIKey of 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is BWFPMVRABSPWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-13-8-14(2)24(21-13)17-10-18-9-16(20-17)22-6-7-25-15(11-22)12-23-5-3-4-19-23/h3-5,8-10,15H,6-7,11-12H2,1-2H3.
What are the key properties of 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine?
4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 339.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 127298016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).