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

C20H28N4O2S — CID 31044711

IUPAC5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCOCc1cc(CNC(=O)c2ccc([C@@H]3CCCN3C3CCCC3)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)/t17-/m0/s1
InChIKeyIRAYLDOPWRCVEG-KRWDZBQOSA-N
MW388.54 g/mol
LogP3.63
Rot. Bonds7

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

5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 31044711) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID31044711
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCOCc1cc(CNC(=O)c2ccc([C@@H]3CCCN3C3CCCC3)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)/t17-/m0/s1
InChIKeyIRAYLDOPWRCVEG-KRWDZBQOSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide (CID 31044711) is 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide is COCc1cc(CNC(=O)c2ccc([C@@H]3CCCN3C3CCCC3)s2)[nH]n1.
What is the InChIKey of 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is IRAYLDOPWRCVEG-KRWDZBQOSA-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)/t17-/m0/s1.
What are the key properties of 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide?
5-[(2S)-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-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 31044711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).