4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one

C11H15N5O — CID 81041179

IUPAC4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2cnccn2)C(=O)C1CCCN
InChIInChI=1S/C11H15N5O/c1-8-9(3-2-4-12)11(17)16(15-8)10-7-13-5-6-14-10/h5-7,9H,2-4,12H2,1H3
InChIKeyPWDQCWZRBIYGLR-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.55
Rot. Bonds4

About 4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one

4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one (PubChem CID 81041179) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one
PubChem CID81041179
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2cnccn2)C(=O)C1CCCN
InChIInChI=1S/C11H15N5O/c1-8-9(3-2-4-12)11(17)16(15-8)10-7-13-5-6-14-10/h5-7,9H,2-4,12H2,1H3
InChIKeyPWDQCWZRBIYGLR-UHFFFAOYSA-N
XLogP0.55
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminopropyl)-2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
CID 63971655
4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one
CID 63973200
4-(3-aminopropyl)-5-propan-2-yl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822578
4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822388
4-(3-aminopropyl)-5-methyl-2-[(3-methylphenyl)methyl]-4H-pyrazol-3-one
CID 63971852
4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one
CID 63972052
4-(3-aminopropyl)-5-tert-butyl-2-pyrimidin-2-yl-4H-pyrazol-3-one
CID 63971272
5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one
CID 21274513
2-pyrazin-2-yl-5-(pyridin-4-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131648056
2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 106468632
5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one
CID 112731800
4-(aminomethyl)-2-(4-chloro-3-fluorophenyl)-5-methyl-4H-pyrazol-3-one
CID 79218459

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one (CID 81041179) is 4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one is CC1=NN(c2cnccn2)C(=O)C1CCCN.
What is the InChIKey of 4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one?
The InChIKey is PWDQCWZRBIYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-9(3-2-4-12)11(17)16(15-8)10-7-13-5-6-14-10/h5-7,9H,2-4,12H2,1H3.
What are the key properties of 4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one?
4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one has a molecular weight of 233.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 81041179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).