3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one

C18H25N5OS — CID 70747805

IUPAC3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ncsc1CN1CCn2nc(CCC(=O)N3CCCC3)cc2C1
InChIInChI=1S/C18H25N5OS/c1-14-17(25-13-19-14)12-21-8-9-23-16(11-21)10-15(20-23)4-5-18(24)22-6-2-3-7-22/h10,13H,2-9,11-12H2,1H3
InChIKeyLKNMYWLUGSIJAR-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.22
Rot. Bonds5

About 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 70747805) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID70747805
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ncsc1CN1CCn2nc(CCC(=O)N3CCCC3)cc2C1
InChIInChI=1S/C18H25N5OS/c1-14-17(25-13-19-14)12-21-8-9-23-16(11-21)10-15(20-23)4-5-18(24)22-6-2-3-7-22/h10,13H,2-9,11-12H2,1H3
InChIKeyLKNMYWLUGSIJAR-UHFFFAOYSA-N
XLogP2.22
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 53623882
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779489
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779791
3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
CID 70721579
3-(1,3-Thiazol-4-yl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 72044196
N,N-dimethyl-2-({[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 72845239
5-[(4-Isopropyl-1,2,3-thiadiazol-5-yl)methyl]-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70744819
2-(Pyrrolidin-1-ylcarbonyl)-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 50967328
2-[3-oxo-3-(1-pyrrolidinyl)propyl]-5-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70761394
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
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 96573366
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 132425997

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 70747805) is 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one is Cc1ncsc1CN1CCn2nc(CCC(=O)N3CCCC3)cc2C1.
What is the InChIKey of 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LKNMYWLUGSIJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-14-17(25-13-19-14)12-21-8-9-23-16(11-21)10-15(20-23)4-5-18(24)22-6-2-3-7-22/h10,13H,2-9,11-12H2,1H3.
What are the key properties of 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 359.50 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 70747805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).