2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide

C17H17N5OS — CID 70736280

IUPAC2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cc2n(n1)CCNC2)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H17N5OS/c23-16(15-11-24-17(20-15)12-4-2-1-3-5-12)19-9-13-8-14-10-18-6-7-22(14)21-13/h1-5,8,11,18H,6-7,9-10H2,(H,19,23)
InChIKeyWDRJRFOQZXOQDR-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.04
Rot. Bonds4

About 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 70736280) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID70736280
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cc2n(n1)CCNC2)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H17N5OS/c23-16(15-11-24-17(20-15)12-4-2-1-3-5-12)19-9-13-8-14-10-18-6-7-22(14)21-13/h1-5,8,11,18H,6-7,9-10H2,(H,19,23)
InChIKeyWDRJRFOQZXOQDR-UHFFFAOYSA-N
XLogP2.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 74238439
3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 70737714
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide
CID 70720278
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride
CID 154896836
5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 70774462
(3S)-3-(4-fluorophenyl)-3-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
CID 97455358
2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 91629613
2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride
CID 154897139
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18157145
2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 118048244
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 70736280) is 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cc2n(n1)CCNC2)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WDRJRFOQZXOQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-16(15-11-24-17(20-15)12-4-2-1-3-5-12)19-9-13-8-14-10-18-6-7-22(14)21-13/h1-5,8,11,18H,6-7,9-10H2,(H,19,23).
What are the key properties of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70736280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).