[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

C16H18N4O2S — CID 16670479

IUPAC[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1
InChIInChI=1S/C16H18N4O2S/c21-14(15-17-6-9-23-15)10-4-7-20(8-5-10)16(22)13-11-2-1-3-12(11)18-19-13/h6,9-10H,1-5,7-8H2,(H,18,19)
InChIKeyAZSNGEXOHXJQDR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.09
Rot. Bonds3

About [1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 16670479) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is [1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID16670479
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1
InChIInChI=1S/C16H18N4O2S/c21-14(15-17-6-9-23-15)10-4-7-20(8-5-10)16(22)13-11-2-1-3-12(11)18-19-13/h6,9-10H,1-5,7-8H2,(H,18,19)
InChIKeyAZSNGEXOHXJQDR-UHFFFAOYSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
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-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
CID 71921524
5-[1-[3-(1,3-thiazol-4-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926909
5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373898
Pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97381235
(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-6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 97388981
(4-Methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97389001
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-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 128991429

Frequently Asked Questions

What is the IUPAC name of [1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (CID 16670479) is [1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1.
What is the InChIKey of [1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is AZSNGEXOHXJQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-14(15-17-6-9-23-15)10-4-7-20(8-5-10)16(22)13-11-2-1-3-12(11)18-19-13/h6,9-10H,1-5,7-8H2,(H,18,19).
What are the key properties of [1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 330.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 16670479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).