pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone

C19H25N5OS — CID 50967328

IUPACpyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone
SMILESO=C(c1cc2n(n1)CCN(Cc1nc3c(s1)CCCC3)C2)N1CCCC1
InChIInChI=1S/C19H25N5OS/c25-19(23-7-3-4-8-23)16-11-14-12-22(9-10-24(14)21-16)13-18-20-15-5-1-2-6-17(15)26-18/h11H,1-10,12-13H2
InChIKeyOEMHNNWUWONRRY-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.47
Rot. Bonds3

About pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone

pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone (PubChem CID 50967328) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone
PubChem CID50967328
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Namepyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone
SMILESO=C(c1cc2n(n1)CCN(Cc1nc3c(s1)CCCC3)C2)N1CCCC1
InChIInChI=1S/C19H25N5OS/c25-19(23-7-3-4-8-23)16-11-14-12-22(9-10-24(14)21-16)13-18-20-15-5-1-2-6-17(15)26-18/h11H,1-10,12-13H2
InChIKeyOEMHNNWUWONRRY-UHFFFAOYSA-N
XLogP2.47
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrazole-3-carboxamide
CID 53611504
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
5-[(4-Methyl-1,3-thiazol-5-yl)methyl]-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70747805
(1,5-Dimethylpyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145417
4-methyl-5-{2-oxo-2-[2-(pyrrolidin-1-ylcarbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}-1,3-thiazol-2-amine
CID 50966106
N-isopropyl-3-{5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide
CID 72925446
[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 138008768
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 164640496
2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 118524496
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 128969669
[5-(Difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
CID 136564936
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-isopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50950417

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone (CID 50967328) is pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone is O=C(c1cc2n(n1)CCN(Cc1nc3c(s1)CCCC3)C2)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone?
The InChIKey is OEMHNNWUWONRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c25-19(23-7-3-4-8-23)16-11-14-12-22(9-10-24(14)21-16)13-18-20-15-5-1-2-6-17(15)26-18/h11H,1-10,12-13H2.
What are the key properties of pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone?
pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone has a molecular weight of 371.51 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 50967328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).