[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C15H21N5OS — CID 71986158

IUPAC[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCC1CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1
InChIInChI=1S/C15H21N5OS/c1-10-9-16-15(22-10)20-7-5-19(6-8-20)14(21)13-11-3-2-4-12(11)17-18-13/h10H,2-9H2,1H3,(H,17,18)
InChIKeyXHPKBRLKOUKUKV-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.15
Rot. Bonds1

About [4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 71986158) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is [4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID71986158
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCC1CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1
InChIInChI=1S/C15H21N5OS/c1-10-9-16-15(22-10)20-7-5-19(6-8-20)14(21)13-11-3-2-4-12(11)17-18-13/h10H,2-9H2,1H3,(H,17,18)
InChIKeyXHPKBRLKOUKUKV-UHFFFAOYSA-N
XLogP1.15
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-methyl-5-{[1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)piperidin-4-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56745641
3,3-Dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one
CID 100678674
2-Piperidin-1-yl-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719607
2-(dimethylamino)-7-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136100607
3-({4-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}carbonyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 77087905
[2,2-Dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 146125563
2-(4-Methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137058266
N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 46981625
4-ethyl-5-[1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50962512
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 51595422
N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 51595424
N-ethyl-N-(1-methylpiperidin-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 51599953

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 71986158) is [4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is CC1CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1.
What is the InChIKey of [4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is XHPKBRLKOUKUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-9-16-15(22-10)20-7-5-19(6-8-20)14(21)13-11-3-2-4-12(11)17-18-13/h10H,2-9H2,1H3,(H,17,18).
What are the key properties of [4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 319.43 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 71986158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).