5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one

C12H21N5O — CID 66017736

IUPAC5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one
SMILESCCCc1nn(C)c(NCC2CCC(=O)N2)c1N
InChIInChI=1S/C12H21N5O/c1-3-4-9-11(13)12(17(2)16-9)14-7-8-5-6-10(18)15-8/h8,14H,3-7,13H2,1-2H3,(H,15,18)
InChIKeyKLDYRYVLCOGOEM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.65
Rot. Bonds5

About 5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one

5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 66017736) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one
PubChem CID66017736
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one
SMILESCCCc1nn(C)c(NCC2CCC(=O)N2)c1N
InChIInChI=1S/C12H21N5O/c1-3-4-9-11(13)12(17(2)16-9)14-7-8-5-6-10(18)15-8/h8,14H,3-7,13H2,1-2H3,(H,15,18)
InChIKeyKLDYRYVLCOGOEM-UHFFFAOYSA-N
XLogP0.65
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one (CID 66017736) is 5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one is CCCc1nn(C)c(NCC2CCC(=O)N2)c1N.
What is the InChIKey of 5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is KLDYRYVLCOGOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-4-9-11(13)12(17(2)16-9)14-7-8-5-6-10(18)15-8/h8,14H,3-7,13H2,1-2H3,(H,15,18).
What are the key properties of 5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one?
5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 66017736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).