2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone

C15H20N4OS — CID 53193277

IUPAC2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-18(11-15(20)19-6-2-3-7-19)10-12-9-13(17-16-12)14-5-4-8-21-14/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyNOFNICYQWRJWNM-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.19
Rot. Bonds5

About 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone

2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 53193277) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID53193277
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-18(11-15(20)19-6-2-3-7-19)10-12-9-13(17-16-12)14-5-4-8-21-14/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyNOFNICYQWRJWNM-UHFFFAOYSA-N
XLogP2.19
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
N-((1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)acetamide
CID 71797442
4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one
CID 2801180
4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine
CID 53193275
2-(methyl{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}amino)-1-morpholino-1-ethanone
CID 53193278
1-(2-methoxyethyl)-3-(4-{[3-(2-thienyl)-1H-pyrazol-5-yl]carbonyl}-1,4-diazepan-1-yl)-2-pyrrolidinone
CID 87054825
4-fluoro-1-[(5-{1-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrrolidinyl}-2-thienyl)carbonyl]piperidine
CID 45218050
N,2-dimethyl-N-{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}-1,3-thiazole-4-carboxamide
CID 50980668
N-Methyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]thiophene-2-carboxamide
CID 56704292
3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea
CID 71989927
N~2~-methyl-N~2~-(1H-pyrazol-3-ylmethyl)-N~1~-(2-thienylmethyl)glycinamide
CID 91831322
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide
CID 96549721

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone (CID 53193277) is 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)Cc1cc(-c2cccs2)n[nH]1.
What is the InChIKey of 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is NOFNICYQWRJWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-18(11-15(20)19-6-2-3-7-19)10-12-9-13(17-16-12)14-5-4-8-21-14/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,16,17).
What are the key properties of 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 304.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 53193277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).