4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid

C20H23N3O4 — CID 3083638

IUPAC4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid
SMILESCc1c(N(C)C)c(=O)n(-c2ccccc2)n1C.O=C(O)c1ccccc1O
InChIInChI=1S/C13H17N3O.C7H6O3/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;8-6-4-2-1-3-5(6)7(9)10/h5-9H,1-4H3;1-4,8H,(H,9,10)
InChIKeyOENATKSIWPUNNX-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.64
Rot. Bonds3

About 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid

4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid (PubChem CID 3083638) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid
PubChem CID3083638
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid
SMILESCc1c(N(C)C)c(=O)n(-c2ccccc2)n1C.O=C(O)c1ccccc1O
InChIInChI=1S/C13H17N3O.C7H6O3/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;8-6-4-2-1-3-5(6)7(9)10/h5-9H,1-4H3;1-4,8H,(H,9,10)
InChIKeyOENATKSIWPUNNX-UHFFFAOYSA-N
XLogP2.64
TPSA87.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid?
The IUPAC name of 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid (CID 3083638) is 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid.
What is the SMILES notation for 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid?
The canonical SMILES for 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid is Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C.O=C(O)c1ccccc1O.
What is the InChIKey of 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid?
The InChIKey is OENATKSIWPUNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.C7H6O3/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;8-6-4-2-1-3-5(6)7(9)10/h5-9H,1-4H3;1-4,8H,(H,9,10).
What are the key properties of 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid?
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid has a molecular weight of 369.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzoic acid is sourced from PubChem (CID 3083638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).