3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

C14H19N5OS — CID 56817549

IUPAC3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1cnn(CCC(=O)N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C14H19N5OS/c1-12-10-16-19(11-12)4-2-13(20)17-5-7-18(8-6-17)14-15-3-9-21-14/h3,9-11H,2,4-8H2,1H3
InChIKeyDVOXLAKWEOYADS-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.39
Rot. Bonds4

About 3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 56817549) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID56817549
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1cnn(CCC(=O)N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C14H19N5OS/c1-12-10-16-19(11-12)4-2-13(20)17-5-7-18(8-6-17)14-15-3-9-21-14/h3,9-11H,2,4-8H2,1H3
InChIKeyDVOXLAKWEOYADS-UHFFFAOYSA-N
XLogP1.39
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 53511851
N-methyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53557640
N-methyl-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53562929
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53565859
1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 53575956
3-(4-Methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 56817568
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 56817801
2-(4-Methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 56819430
N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 75373709
N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 75373722
1-[(2S,3aR,7aS)-2-(pyrazol-1-ylmethyl)-1-(1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]propan-1-one
CID 97460228
2-(1H-pyrazol-1-yl)-N-(1-(thiazol-2-yl)piperidin-4-yl)acetamide
CID 71810037

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 56817549) is 3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is Cc1cnn(CCC(=O)N2CCN(c3nccs3)CC2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is DVOXLAKWEOYADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-12-10-16-19(11-12)4-2-13(20)17-5-7-18(8-6-17)14-15-3-9-21-14/h3,9-11H,2,4-8H2,1H3.
What are the key properties of 3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 305.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56817549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).