5-(aminomethyl)-1,2-dihydropyrazol-3-one

C4H7N3O — CID 3082377

IUPAC5-(aminomethyl)-1,2-dihydropyrazol-3-one
SMILESNCc1cc(=O)[nH][nH]1
InChIInChI=1S/C4H7N3O/c5-2-3-1-4(8)7-6-3/h1H,2,5H2,(H2,6,7,8)
InChIKeyMKSFCAQPDWJPND-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.84
Rot. Bonds1

About 5-(aminomethyl)-1,2-dihydropyrazol-3-one

5-(aminomethyl)-1,2-dihydropyrazol-3-one (PubChem CID 3082377) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-(aminomethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-1,2-dihydropyrazol-3-one
PubChem CID3082377
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name5-(aminomethyl)-1,2-dihydropyrazol-3-one
SMILESNCc1cc(=O)[nH][nH]1
InChIInChI=1S/C4H7N3O/c5-2-3-1-4(8)7-6-3/h1H,2,5H2,(H2,6,7,8)
InChIKeyMKSFCAQPDWJPND-UHFFFAOYSA-N
XLogP-0.84
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-3-pyrazolin-5-one
CID 319771
5-(aminomethyl)-2,3-dihydro-1H-pyrazol-3-one dihydrochloride
CID 16807502
5-(3-aminopropyl)-2,3-dihydro-1H-pyrazol-3-one
CID 82418088
Pyrazoline-3-carboxamide
CID 23161696
(Z)-3-aminobut-2-enehydrazide
CID 12094474
5-oxo-2,5-dihydro-1H-pyrazole-3-carboxamide
CID 19046836
5-(Methylaminomethyl)-1,2-dihydropyrazol-3-one
CID 20607212
5-Ethenyl-1,2-dihydropyrazol-3-one
CID 54506834
5-aminomethyl-2-methyl-2H-pyrazol-3-ol
CID 55284720
5-(2-aminoethyl)-2,3-dihydro-1H-pyrazol-3-one
CID 55290776
potassium 5-methyl-1H-pyrazol-2-id-3-one
CID 59651397
CID 59694613
CID 59694613

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(aminomethyl)-1,2-dihydropyrazol-3-one (CID 3082377) is 5-(aminomethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(aminomethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(aminomethyl)-1,2-dihydropyrazol-3-one is NCc1cc(=O)[nH][nH]1.
What is the InChIKey of 5-(aminomethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is MKSFCAQPDWJPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-2-3-1-4(8)7-6-3/h1H,2,5H2,(H2,6,7,8).
What are the key properties of 5-(aminomethyl)-1,2-dihydropyrazol-3-one?
5-(aminomethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 113.12 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 3082377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).