4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one

C14H25N3O — CID 55188912

IUPAC4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one
SMILESCCCn1c(C2CC2)c(N)c(=O)n1C(CC)CC
InChIInChI=1S/C14H25N3O/c1-4-9-16-13(10-7-8-10)12(15)14(18)17(16)11(5-2)6-3/h10-11H,4-9,15H2,1-3H3
InChIKeyFSBFXFNENXCKST-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.88
Rot. Bonds6

About 4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one

4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one (PubChem CID 55188912) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one
PubChem CID55188912
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one
SMILESCCCn1c(C2CC2)c(N)c(=O)n1C(CC)CC
InChIInChI=1S/C14H25N3O/c1-4-9-16-13(10-7-8-10)12(15)14(18)17(16)11(5-2)6-3/h10-11H,4-9,15H2,1-3H3
InChIKeyFSBFXFNENXCKST-UHFFFAOYSA-N
XLogP2.88
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.88
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-2-pentan-3-yl-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one (CID 55188912) is 4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one is CCCn1c(C2CC2)c(N)c(=O)n1C(CC)CC.
What is the InChIKey of 4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one?
The InChIKey is FSBFXFNENXCKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-9-16-13(10-7-8-10)12(15)14(18)17(16)11(5-2)6-3/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one?
4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one has a molecular weight of 251.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-2-pentan-3-yl-1-propylpyrazol-3-one is sourced from PubChem (CID 55188912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).