N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

C19H22N4O2S — CID 95882643

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCNC2)NC[C@H](O)c1cc2ccccc2s1
InChIInChI=1S/C19H22N4O2S/c24-16(18-9-13-3-1-2-4-17(13)26-18)12-21-19(25)6-5-14-10-15-11-20-7-8-23(15)22-14/h1-4,9-10,16,20,24H,5-8,11-12H2,(H,21,25)/t16-/m0/s1
InChIKeyIPJYQMNRQLGVGP-INIZCTEOSA-N
MW370.48 g/mol
LogP1.98
Rot. Bonds6

About N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (PubChem CID 95882643) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
PubChem CID95882643
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCNC2)NC[C@H](O)c1cc2ccccc2s1
InChIInChI=1S/C19H22N4O2S/c24-16(18-9-13-3-1-2-4-17(13)26-18)12-21-19(25)6-5-14-10-15-11-20-7-8-23(15)22-14/h1-4,9-10,16,20,24H,5-8,11-12H2,(H,21,25)/t16-/m0/s1
InChIKeyIPJYQMNRQLGVGP-INIZCTEOSA-N
XLogP1.98
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 71796691
{5-[(5-Ethyl-2-thienyl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}(phenyl)methanol
CID 90649055
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 91630869
1-{5-[(3-Methyl-1-benzothien-2-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}ethane-1,2-diol
CID 91777329
5-(2-Hydroxy-2-phenylethyl)-2-(thiophen-2-YL)-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 91917142
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-3,5-dimethyl-4-pyrazolecarboxamide
CID 99980249
N-(2-hydroxyethyl)-3-{5-[(2S)-2-hydroxy-2-phenylacetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide
CID 72914036
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 92067416
3-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 95986098
3-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 95986099
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 121179483
N-(2-{[2,2'-bithiophene]-5-yl}-2-hydroxyethyl)-3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 126854834

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (CID 95882643) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is O=C(CCc1cc2n(n1)CCNC2)NC[C@H](O)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The InChIKey is IPJYQMNRQLGVGP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-16(18-9-13-3-1-2-4-17(13)26-18)12-21-19(25)6-5-14-10-15-11-20-7-8-23(15)22-14/h1-4,9-10,16,20,24H,5-8,11-12H2,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide has a molecular weight of 370.48 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 95882643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).