1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C13H23N5O — CID 106317684

IUPAC1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCn1nc(C)c(N)c1N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C13H23N5O/c1-5-18-11(10(14)9(2)16-18)17-7-6-13(3,8-17)12(19)15-4/h5-8,14H2,1-4H3,(H,15,19)
InChIKeyMWQWEKKVAJOAGI-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.76
Rot. Bonds3

About 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317684) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317684
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCn1nc(C)c(N)c1N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C13H23N5O/c1-5-18-11(10(14)9(2)16-18)17-7-6-13(3,8-17)12(19)15-4/h5-8,14H2,1-4H3,(H,15,19)
InChIKeyMWQWEKKVAJOAGI-UHFFFAOYSA-N
XLogP0.76
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317684) is 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CCn1nc(C)c(N)c1N1CCC(C)(C(=O)NC)C1.
What is the InChIKey of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is MWQWEKKVAJOAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-18-11(10(14)9(2)16-18)17-7-6-13(3,8-17)12(19)15-4/h5-8,14H2,1-4H3,(H,15,19).
What are the key properties of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).