4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one

C10H11ClN4O2 — CID 103995448

IUPAC4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCOCc1[nH]n(-c2cccnc2Cl)c(=O)c1N
InChIInChI=1S/C10H11ClN4O2/c1-17-5-6-8(12)10(16)15(14-6)7-3-2-4-13-9(7)11/h2-4,14H,5,12H2,1H3
InChIKeySSEGJUGBBPEFGO-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.94
Rot. Bonds3

About 4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one

4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one (PubChem CID 103995448) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one
PubChem CID103995448
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCOCc1[nH]n(-c2cccnc2Cl)c(=O)c1N
InChIInChI=1S/C10H11ClN4O2/c1-17-5-6-8(12)10(16)15(14-6)7-3-2-4-13-9(7)11/h2-4,14H,5,12H2,1H3
InChIKeySSEGJUGBBPEFGO-UHFFFAOYSA-N
XLogP0.94
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-chloro-3-pyridinyl)-3-oxo-1H-pyrazole-5-carboxylate
CID 86631717
4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one
CID 103995180
dimethyl 1-(2-chloro-3-pyridinyl)-4-oxopyridine-3,5-dicarboxylate
CID 5303504
4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one
CID 103995429
4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one
CID 103995141
4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one
CID 103294629
1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione
CID 83813700
2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one
CID 172758717
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
2-chloropyridin-3-amine;ethane
CID 91236082
3-(methoxymethyl)pyridine-2-carbaldehyde
CID 87637871
4-amino-1-(2-chloro-3-pyridinyl)-5-(4-methoxybenzoyl)pyrrole-3-carbonitrile
CID 169410239

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one (CID 103995448) is 4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one is COCc1[nH]n(-c2cccnc2Cl)c(=O)c1N.
What is the InChIKey of 4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The InChIKey is SSEGJUGBBPEFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-17-5-6-8(12)10(16)15(14-6)7-3-2-4-13-9(7)11/h2-4,14H,5,12H2,1H3.
What are the key properties of 4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one has a molecular weight of 254.68 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-chloro-3-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 103995448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).