4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one

C13H14ClN3O — CID 113363195

IUPAC4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one
SMILESNc1c(C2CC2)[nH]n(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C13H14ClN3O/c14-10-3-1-2-8(6-10)7-17-13(18)11(15)12(16-17)9-4-5-9/h1-3,6,9,16H,4-5,7,15H2
InChIKeyMVCVJBUZFMYQPA-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.34
Rot. Bonds3

About 4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one

4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one (PubChem CID 113363195) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one
PubChem CID113363195
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one
SMILESNc1c(C2CC2)[nH]n(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C13H14ClN3O/c14-10-3-1-2-8(6-10)7-17-13(18)11(15)12(16-17)9-4-5-9/h1-3,6,9,16H,4-5,7,15H2
InChIKeyMVCVJBUZFMYQPA-UHFFFAOYSA-N
XLogP2.34
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389845
2-[(3-chlorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 22769211
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
6-[(3-chlorophenyl)methyl]-2-(pyridin-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375792
(5S)-1-[(3-chlorophenyl)methyl]-5-phenylimidazolidin-2-one
CID 124677204
1-[(3-chlorophenyl)methyl]-2-sulfanylidenepyrimidin-4-one
CID 62533456
4-amino-2-[(3-fluorophenyl)methyl]-5-phenyl-1H-pyrazol-3-one
CID 103995293
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732
2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine
CID 83241161
[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride
CID 10934236
6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874117
3-[(3-chlorophenyl)methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 17394339

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one (CID 113363195) is 4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one is Nc1c(C2CC2)[nH]n(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one?
The InChIKey is MVCVJBUZFMYQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-3-1-2-8(6-10)7-17-13(18)11(15)12(16-17)9-4-5-9/h1-3,6,9,16H,4-5,7,15H2.
What are the key properties of 4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one?
4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one has a molecular weight of 263.73 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one is sourced from PubChem (CID 113363195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).