1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide

C12H21N5O — CID 66012640

IUPAC1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCCn1nc(C)c(N)c1N1CCCC1C(=O)NC
InChIInChI=1S/C12H21N5O/c1-4-17-12(10(13)8(2)15-17)16-7-5-6-9(16)11(18)14-3/h9H,4-7,13H2,1-3H3,(H,14,18)
InChIKeyYLALBRNIPJOPMZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.51
Rot. Bonds3

About 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide

1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 66012640) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID66012640
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCCn1nc(C)c(N)c1N1CCCC1C(=O)NC
InChIInChI=1S/C12H21N5O/c1-4-17-12(10(13)8(2)15-17)16-7-5-6-9(16)11(18)14-3/h9H,4-7,13H2,1-3H3,(H,14,18)
InChIKeyYLALBRNIPJOPMZ-UHFFFAOYSA-N
XLogP0.51
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-3-methyl-1-propylpyrazol-5-yl)-N-methylpiperidine-2-carboxamide
CID 66029186
4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)morpholine-3-carboxamide
CID 83101182
1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide
CID 54989738
[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)piperidin-3-yl]methanol
CID 66012620
1-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80986923
1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112624222
1-ethyl-3-methyl-5-piperidin-1-ylpyrazol-4-amine
CID 66012579
1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317684
1-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80987630
1-(2-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104540139
1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80994938
1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 64623898

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide (CID 66012640) is 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide is CCn1nc(C)c(N)c1N1CCCC1C(=O)NC.
What is the InChIKey of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is YLALBRNIPJOPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-17-12(10(13)8(2)15-17)16-7-5-6-9(16)11(18)14-3/h9H,4-7,13H2,1-3H3,(H,14,18).
What are the key properties of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide?
1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.51, 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-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 66012640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).