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

C14H18N4O2S — CID 119059150

IUPACN-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H18N4O2S/c1-20-7-6-18(9-12-15-5-8-21-12)14(19)13-10-3-2-4-11(10)16-17-13/h5,8H,2-4,6-7,9H2,1H3,(H,16,17)
InChIKeyWTKFHGYZWHFXLG-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.64
Rot. Bonds6

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

N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 119059150) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID119059150
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H18N4O2S/c1-20-7-6-18(9-12-15-5-8-21-12)14(19)13-10-3-2-4-11(10)16-17-13/h5,8H,2-4,6-7,9H2,1H3,(H,16,17)
InChIKeyWTKFHGYZWHFXLG-UHFFFAOYSA-N
XLogP1.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.64
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-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
Morpholin-4-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97461908
3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70775679
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
[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 154784039
[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
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138588
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138590

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 119059150) is N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is COCCN(Cc1nccs1)C(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is WTKFHGYZWHFXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-20-7-6-18(9-12-15-5-8-21-12)14(19)13-10-3-2-4-11(10)16-17-13/h5,8H,2-4,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 119059150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).