3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one

C19H25N3O2S — CID 72874587

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one
SMILESCc1ccsc1C(=O)C1CCCN(C(=O)CCc2n[nH]c(C)c2C)C1
InChIInChI=1S/C19H25N3O2S/c1-12-8-10-25-19(12)18(24)15-5-4-9-22(11-15)17(23)7-6-16-13(2)14(3)20-21-16/h8,10,15H,4-7,9,11H2,1-3H3,(H,20,21)
InChIKeyBWZHETHCWSBJLO-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.45
Rot. Bonds5

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 72874587) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID72874587
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one
SMILESCc1ccsc1C(=O)C1CCCN(C(=O)CCc2n[nH]c(C)c2C)C1
InChIInChI=1S/C19H25N3O2S/c1-12-8-10-25-19(12)18(24)15-5-4-9-22(11-15)17(23)7-6-16-13(2)14(3)20-21-16/h8,10,15H,4-7,9,11H2,1-3H3,(H,20,21)
InChIKeyBWZHETHCWSBJLO-UHFFFAOYSA-N
XLogP3.45
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 91833490
(3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118779147
(3S,6R)-6-(dimethylamino)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]azepane-3-carboxylic acid
CID 170502508
ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
CID 45217033
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one
CID 45209998
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 84613412
1-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
CID 70711459
1-[(3S)-3-benzoylpiperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 95225274
1-[3-(naphthalene-1-carbonyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 45187560
1-[3-(4-methylbenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110394634
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 25287005
6-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one (CID 72874587) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one is Cc1ccsc1C(=O)C1CCCN(C(=O)CCc2n[nH]c(C)c2C)C1.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is BWZHETHCWSBJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-12-8-10-25-19(12)18(24)15-5-4-9-22(11-15)17(23)7-6-16-13(2)14(3)20-21-16/h8,10,15H,4-7,9,11H2,1-3H3,(H,20,21).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 359.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 72874587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).