2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone

C12H20N4O — CID 86808592

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1n[nH]c(C)c1CNCC(=O)N1CCCC1
InChIInChI=1S/C12H20N4O/c1-9-11(10(2)15-14-9)7-13-8-12(17)16-5-3-4-6-16/h13H,3-8H2,1-2H3,(H,14,15)
InChIKeyMYUWYGHZRCKKLV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.74
Rot. Bonds4

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone

2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 86808592) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID86808592
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1n[nH]c(C)c1CNCC(=O)N1CCCC1
InChIInChI=1S/C12H20N4O/c1-9-11(10(2)15-14-9)7-13-8-12(17)16-5-3-4-6-16/h13H,3-8H2,1-2H3,(H,14,15)
InChIKeyMYUWYGHZRCKKLV-UHFFFAOYSA-N
XLogP0.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 46988868
2-azepan-1-yl-N-({1-[(3-methyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl}methyl)acetamide
CID 56719190
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 84595015
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 84595622
2-{methyl[(3-methyl-1H-pyrazol-5-yl)methyl]amino}-1-(1-pyrrolidinyl)-1-ethanone
CID 53193264
1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxo-2-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 72918107
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-oxoazepane-2-carboxamide
CID 91908906
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[ethyl(2-ethylbutyl)amino]acetamide
CID 40166965
N~1~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-D-leucinamide
CID 90647268
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-L-isoleucinamide
CID 90649673
2-pyrrolidin-1-yl-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 90651232

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone (CID 86808592) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone is Cc1n[nH]c(C)c1CNCC(=O)N1CCCC1.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is MYUWYGHZRCKKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(10(2)15-14-9)7-13-8-12(17)16-5-3-4-6-16/h13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 236.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 86808592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).