2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C14H25N5O — CID 81491148

IUPAC2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCNCC1CCCN1CC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H25N5O/c1-11(2)19-13(6-7-16-19)17-14(20)10-18-8-4-5-12(18)9-15-3/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H,17,20)
InChIKeyZQSDYZWDSRDUCD-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.09
Rot. Bonds6

About 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 81491148) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID81491148
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCNCC1CCCN1CC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H25N5O/c1-11(2)19-13(6-7-16-19)17-14(20)10-18-8-4-5-12(18)9-15-3/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H,17,20)
InChIKeyZQSDYZWDSRDUCD-UHFFFAOYSA-N
XLogP1.09
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate
CID 62026166
1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid
CID 43441242
2-piperidin-1-yl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155912
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500
N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928502
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988
N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490166
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490252
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928583
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 107408192
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111461999
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119928312

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 81491148) is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CNCC1CCCN1CC(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is ZQSDYZWDSRDUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11(2)19-13(6-7-16-19)17-14(20)10-18-8-4-5-12(18)9-15-3/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H,17,20).
What are the key properties of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 81491148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).