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

C13H17N3O — CID 6009

💊View drug profile → aminophenazone
IUPAC4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(N(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKeyRMMXTBMQSGEXHJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.55
Rot. Bonds2

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

4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 6009) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID6009
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(N(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKeyRMMXTBMQSGEXHJ-UHFFFAOYSA-N
XLogP1.55
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Antipyrine
CID 2206
Propyphenazone
CID 3778
Methylaminoantipyrine
CID 10618
4-Aminoantipyrine
CID 2151
Metamizole Sodium
CID 522325
Ramifenazone
CID 5037
Metamizole
CID 3111
Sulpyrine
CID 23674183
4-Iodoantipyrine
CID 8522
4-Acetylaminoantipyrine
CID 65743
4-(Formylamino)antipyrine
CID 72666
4-Hydroxyantipyrine
CID 98889

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one (CID 6009) is 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is RMMXTBMQSGEXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3.
What are the key properties of 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 231.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 6009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).