N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C13H16N4O2S — CID 119069932

IUPACN-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c2c1CCC2)N(CCO)Cc1nccs1
InChIInChI=1S/C13H16N4O2S/c18-6-5-17(8-11-14-4-7-20-11)13(19)12-9-2-1-3-10(9)15-16-12/h4,7,18H,1-3,5-6,8H2,(H,15,16)
InChIKeyZREBYJNMTWNTAX-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.99
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 119069932) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID119069932
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c2c1CCC2)N(CCO)Cc1nccs1
InChIInChI=1S/C13H16N4O2S/c18-6-5-17(8-11-14-4-7-20-11)13(19)12-9-2-1-3-10(9)15-16-12/h4,7,18H,1-3,5-6,8H2,(H,15,16)
InChIKeyZREBYJNMTWNTAX-UHFFFAOYSA-N
XLogP0.99
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(thiazol-2-yl)ethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 71705685
5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
CID 71875704
(4-Methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388961
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461840
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118743183
N-(1,3-thiazol-2-ylmethyl)-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 171675647
[1-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 16670479
2-{1-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]pyrrolidin-2-yl}-1,3-thiazole
CID 50976368
1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-3-yl-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 53610638
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 56905889
N-(2-hydroxyethyl)-3-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70769198
[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 72144040

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 119069932) is N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(c1n[nH]c2c1CCC2)N(CCO)Cc1nccs1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is ZREBYJNMTWNTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-6-5-17(8-11-14-4-7-20-11)13(19)12-9-2-1-3-10(9)15-16-12/h4,7,18H,1-3,5-6,8H2,(H,15,16).
What are the key properties of N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 119069932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).