6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

C14H19ClN4O — CID 62128808

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCc1nn(-c2ccc(N)c(OC(C)(C)C)n2)c(C)c1Cl
InChIInChI=1S/C14H19ClN4O/c1-8-12(15)9(2)19(18-8)11-7-6-10(16)13(17-11)20-14(3,4)5/h6-7H,16H2,1-5H3
InChIKeyIXFOPAIMAVSSJI-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.30
Rot. Bonds2

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (PubChem CID 62128808) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
PubChem CID62128808
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCc1nn(-c2ccc(N)c(OC(C)(C)C)n2)c(C)c1Cl
InChIInChI=1S/C14H19ClN4O/c1-8-12(15)9(2)19(18-8)11-7-6-10(16)13(17-11)20-14(3,4)5/h6-7H,16H2,1-5H3
InChIKeyIXFOPAIMAVSSJI-UHFFFAOYSA-N
XLogP3.30
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (CID 62128808) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is Cc1nn(-c2ccc(N)c(OC(C)(C)C)n2)c(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The InChIKey is IXFOPAIMAVSSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-8-12(15)9(2)19(18-8)11-7-6-10(16)13(17-11)20-14(3,4)5/h6-7H,16H2,1-5H3.
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine has a molecular weight of 294.79 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 62128808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).