2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide

C13H22N4O — CID 119069590

IUPAC2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCc1cn[nH]c1)N1CCCC1
InChIInChI=1S/C13H22N4O/c1-13(2,17-7-3-4-8-17)12(18)14-6-5-11-9-15-16-10-11/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyXAXLUMAQDPZUFZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.94
Rot. Bonds5

About 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide

2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 119069590) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID119069590
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCc1cn[nH]c1)N1CCCC1
InChIInChI=1S/C13H22N4O/c1-13(2,17-7-3-4-8-17)12(18)14-6-5-11-9-15-16-10-11/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyXAXLUMAQDPZUFZ-UHFFFAOYSA-N
XLogP0.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-isobutyl-N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 50973302
6-(1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 165455541
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212822
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113339606
4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120955234
4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 120955235
(2R)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 122625537
N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 126809556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide (CID 119069590) is 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide is CC(C)(C(=O)NCCc1cn[nH]c1)N1CCCC1.
What is the InChIKey of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is XAXLUMAQDPZUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,17-7-3-4-8-17)12(18)14-6-5-11-9-15-16-10-11/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 119069590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).