1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one

C15H15N5O — CID 62940084

IUPAC1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one
SMILESCn1ccnc(NCc2ccc(-c3ccn[nH]3)cc2)c1=O
InChIInChI=1S/C15H15N5O/c1-20-9-8-16-14(15(20)21)17-10-11-2-4-12(5-3-11)13-6-7-18-19-13/h2-9H,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyFIQRACQLOLXOTN-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.78
Rot. Bonds4

About 1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one

1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one (PubChem CID 62940084) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one
PubChem CID62940084
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one
SMILESCn1ccnc(NCc2ccc(-c3ccn[nH]3)cc2)c1=O
InChIInChI=1S/C15H15N5O/c1-20-9-8-16-14(15(20)21)17-10-11-2-4-12(5-3-11)13-6-7-18-19-13/h2-9H,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyFIQRACQLOLXOTN-UHFFFAOYSA-N
XLogP1.78
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one
CID 62940431
4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 62939908
3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine
CID 106875582
1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one
CID 62940429
1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
CID 20941568
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
3-nitro-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 55729028
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
CID 62940791
1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 62939218
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974643
4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 43733257

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one (CID 62940084) is 1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one is Cn1ccnc(NCc2ccc(-c3ccn[nH]3)cc2)c1=O.
What is the InChIKey of 1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one?
The InChIKey is FIQRACQLOLXOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20-9-8-16-14(15(20)21)17-10-11-2-4-12(5-3-11)13-6-7-18-19-13/h2-9H,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one?
1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one has a molecular weight of 281.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one is sourced from PubChem (CID 62940084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).