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

C10H17N3O — CID 63353995

IUPAC4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one
SMILESCCCn1c(=O)c(N)c(C2CC2)n1C
InChIInChI=1S/C10H17N3O/c1-3-6-13-10(14)8(11)9(12(13)2)7-4-5-7/h7H,3-6,11H2,1-2H3
InChIKeyGDNORDWEFXYGSF-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.06
Rot. Bonds3

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

4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one (PubChem CID 63353995) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one
PubChem CID63353995
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one
SMILESCCCn1c(=O)c(N)c(C2CC2)n1C
InChIInChI=1S/C10H17N3O/c1-3-6-13-10(14)8(11)9(12(13)2)7-4-5-7/h7H,3-6,11H2,1-2H3
InChIKeyGDNORDWEFXYGSF-UHFFFAOYSA-N
XLogP1.06
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one?
The IUPAC name of 4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one (CID 63353995) is 4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one?
The canonical SMILES for 4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one is CCCn1c(=O)c(N)c(C2CC2)n1C.
What is the InChIKey of 4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one?
The InChIKey is GDNORDWEFXYGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-6-13-10(14)8(11)9(12(13)2)7-4-5-7/h7H,3-6,11H2,1-2H3.
What are the key properties of 4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one?
4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-1-methyl-2-propylpyrazol-3-one is sourced from PubChem (CID 63353995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).