N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine

C19H22N6O — CID 110113015

IUPACN-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
SMILESCNc1nccnc1C1CN(Cc2cn[nH]c2-c2ccccc2)CCO1
InChIInChI=1S/C19H22N6O/c1-20-19-18(21-7-8-22-19)16-13-25(9-10-26-16)12-15-11-23-24-17(15)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12-13H2,1H3,(H,20,22)(H,23,24)
InChIKeyNJOLMPJFYNJAGD-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.48
Rot. Bonds5

About N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine

N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine (PubChem CID 110113015) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
PubChem CID110113015
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
SMILESCNc1nccnc1C1CN(Cc2cn[nH]c2-c2ccccc2)CCO1
InChIInChI=1S/C19H22N6O/c1-20-19-18(21-7-8-22-19)16-13-25(9-10-26-16)12-15-11-23-24-17(15)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12-13H2,1H3,(H,20,22)(H,23,24)
InChIKeyNJOLMPJFYNJAGD-UHFFFAOYSA-N
XLogP2.48
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The IUPAC name of N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine (CID 110113015) is N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The canonical SMILES for N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine is CNc1nccnc1C1CN(Cc2cn[nH]c2-c2ccccc2)CCO1.
What is the InChIKey of N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The InChIKey is NJOLMPJFYNJAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-20-19-18(21-7-8-22-19)16-13-25(9-10-26-16)12-15-11-23-24-17(15)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12-13H2,1H3,(H,20,22)(H,23,24).
What are the key properties of N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine has a molecular weight of 350.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 110113015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).