4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one

C13H17N3O — CID 43163639

IUPAC4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one
SMILESCCCc1c(N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C13H17N3O/c1-3-7-11-12(14)13(17)16(15(11)2)10-8-5-4-6-9-10/h4-6,8-9H,3,7,14H2,1-2H3
InChIKeyCXSOYNNUNFOPPT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.71
Rot. Bonds3

About 4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one

4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one (PubChem CID 43163639) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one
PubChem CID43163639
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one
SMILESCCCc1c(N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C13H17N3O/c1-3-7-11-12(14)13(17)16(15(11)2)10-8-5-4-6-9-10/h4-6,8-9H,3,7,14H2,1-2H3
InChIKeyCXSOYNNUNFOPPT-UHFFFAOYSA-N
XLogP1.71
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(4-hydroxybutyl)-1-methyl-2-phenylpyrazol-3-one
CID 118332555
4-iodo-1-methyl-2-phenyl-5-propylpyrazol-3-one
CID 134105729
4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one
CID 118337592
4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one
CID 43163655
4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one
CID 61273162
4-amino-2-(4-chlorophenyl)-1-ethyl-5-propylpyrazol-3-one
CID 61271739
4-amino-2-(3-bromophenyl)-1-ethyl-5-propylpyrazol-3-one
CID 61270403
4-amino-2-(4-bromophenyl)-5-(methoxymethyl)-1-methylpyrazol-3-one
CID 55063173
4-amino-1-(aminomethyl)-5-methyl-2-phenylpyrazol-3-one
CID 19908753
5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one
CID 154085346
4-amino-2-(4-aminophenyl)-1-methyl-5-phenylpyrazol-3-one
CID 11747946
4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one
CID 118332419

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one?
The IUPAC name of 4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one (CID 43163639) is 4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one?
The canonical SMILES for 4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one is CCCc1c(N)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one?
The InChIKey is CXSOYNNUNFOPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-7-11-12(14)13(17)16(15(11)2)10-8-5-4-6-9-10/h4-6,8-9H,3,7,14H2,1-2H3.
What are the key properties of 4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one?
4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one has a molecular weight of 231.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one is sourced from PubChem (CID 43163639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).