(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C14H25N5O — CID 81458950

IUPAC(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H25N5O/c1-6-19-13(12(15)10(3)16-19)14(20)18-7-9(2)11(8-18)17(4)5/h9,11H,6-8,15H2,1-5H3
InChIKeyDSXRPMVCJWNGKS-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.82
Rot. Bonds3

About (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 81458950) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID81458950
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H25N5O/c1-6-19-13(12(15)10(3)16-19)14(20)18-7-9(2)11(8-18)17(4)5/h9,11H,6-8,15H2,1-5H3
InChIKeyDSXRPMVCJWNGKS-UHFFFAOYSA-N
XLogP0.82
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 81458950) is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is CCn1nc(C)c(N)c1C(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is DSXRPMVCJWNGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-19-13(12(15)10(3)16-19)14(20)18-7-9(2)11(8-18)17(4)5/h9,11H,6-8,15H2,1-5H3.
What are the key properties of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 279.39 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 81458950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).