2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide

C19H24N4O3 — CID 25116903

IUPAC2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1NC(C)(C2CC2)C(Oc2cc(C)c(C#N)c(C)c2)=C1O
InChIInChI=1S/C19H24N4O3/c1-11-7-14(8-12(2)15(11)9-20)26-17-18(25)23(10-16(24)21-4)22-19(17,3)13-5-6-13/h7-8,13,22,25H,5-6,10H2,1-4H3,(H,21,24)
InChIKeyQTKYAEWSBPUFHJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.02
Rot. Bonds5

About 2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide

2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide (PubChem CID 25116903) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide
PubChem CID25116903
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1NC(C)(C2CC2)C(Oc2cc(C)c(C#N)c(C)c2)=C1O
InChIInChI=1S/C19H24N4O3/c1-11-7-14(8-12(2)15(11)9-20)26-17-18(25)23(10-16(24)21-4)22-19(17,3)13-5-6-13/h7-8,13,22,25H,5-6,10H2,1-4H3,(H,21,24)
InChIKeyQTKYAEWSBPUFHJ-UHFFFAOYSA-N
XLogP2.02
TPSA97.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide (CID 25116903) is 2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide is CNC(=O)CN1NC(C)(C2CC2)C(Oc2cc(C)c(C#N)c(C)c2)=C1O.
What is the InChIKey of 2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide?
The InChIKey is QTKYAEWSBPUFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-7-14(8-12(2)15(11)9-20)26-17-18(25)23(10-16(24)21-4)22-19(17,3)13-5-6-13/h7-8,13,22,25H,5-6,10H2,1-4H3,(H,21,24).
What are the key properties of 2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide?
2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide has a molecular weight of 356.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 25116903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).