5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide

C20H28N4O2S — CID 45215067

IUPAC5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCOCc1cc(CNC(=O)c2ccc(C3CCCN3C3CCCC3)s2)[nH]n1
InChIInChI=1S/C20H28N4O2S/c1-26-13-15-11-14(22-23-15)12-21-20(25)19-9-8-18(27-19)17-7-4-10-24(17)16-5-2-3-6-16/h8-9,11,16-17H,2-7,10,12-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyIRAYLDOPWRCVEG-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.63
Rot. Bonds7

About 5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide

5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 45215067) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID45215067
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCOCc1cc(CNC(=O)c2ccc(C3CCCN3C3CCCC3)s2)[nH]n1
InChIInChI=1S/C20H28N4O2S/c1-26-13-15-11-14(22-23-15)12-21-20(25)19-9-8-18(27-19)17-7-4-10-24(17)16-5-2-3-6-16/h8-9,11,16-17H,2-7,10,12-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyIRAYLDOPWRCVEG-UHFFFAOYSA-N
XLogP3.63
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 67315430
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 56744209
[3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 30956925
5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
CID 31044711
5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
CID 31044715
(2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate
CID 38249782
N-{2-[{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}(methyl)amino]-1,1-dimethyl-2-oxoethyl}thiophene-2-carboxamide
CID 46990475
N-methyl-5-(tetrahydrofuran-2-yl)-N-{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}thiophene-2-carboxamide
CID 50963095
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 50974908
methyl 5-[(5-pyrrolidin-2-yl-2-thienyl)carbonyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50984589
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55561952
5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 70739011

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide (CID 45215067) is 5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide is COCc1cc(CNC(=O)c2ccc(C3CCCN3C3CCCC3)s2)[nH]n1.
What is the InChIKey of 5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is IRAYLDOPWRCVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-26-13-15-11-14(22-23-15)12-21-20(25)19-9-8-18(27-19)17-7-4-10-24(17)16-5-2-3-6-16/h8-9,11,16-17H,2-7,10,12-13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide?
5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentylpyrrolidin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 45215067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).