3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine

C10H11ClN4O — CID 86700650

IUPAC3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine
SMILESCNc1cn(-c2cncc(OC)c2)nc1Cl
InChIInChI=1S/C10H11ClN4O/c1-12-9-6-15(14-10(9)11)7-3-8(16-2)5-13-4-7/h3-6,12H,1-2H3
InChIKeyWSOZMAZRIVJIML-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.97
Rot. Bonds3

About 3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine

3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine (PubChem CID 86700650) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine
PubChem CID86700650
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine
SMILESCNc1cn(-c2cncc(OC)c2)nc1Cl
InChIInChI=1S/C10H11ClN4O/c1-12-9-6-15(14-10(9)11)7-3-8(16-2)5-13-4-7/h3-6,12H,1-2H3
InChIKeyWSOZMAZRIVJIML-UHFFFAOYSA-N
XLogP1.97
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine?
The IUPAC name of 3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine (CID 86700650) is 3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine.
What is the SMILES notation for 3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine?
The canonical SMILES for 3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine is CNc1cn(-c2cncc(OC)c2)nc1Cl.
What is the InChIKey of 3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine?
The InChIKey is WSOZMAZRIVJIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-12-9-6-15(14-10(9)11)7-3-8(16-2)5-13-4-7/h3-6,12H,1-2H3.
What are the key properties of 3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine?
3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine has a molecular weight of 238.68 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine is sourced from PubChem (CID 86700650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).