(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

C18H19N5OS — CID 31193245

IUPAC(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C18H19N5OS/c24-18(12-9-19-21-17(12)15-5-2-8-25-15)23-7-6-14-13(10-23)16(22-20-14)11-3-1-4-11/h2,5,8-9,11H,1,3-4,6-7,10H2,(H,19,21)(H,20,22)
InChIKeyJQWVMEINLITDOH-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.33
Rot. Bonds3

About (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (PubChem CID 31193245) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
PubChem CID31193245
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C18H19N5OS/c24-18(12-9-19-21-17(12)15-5-2-8-25-15)23-7-6-14-13(10-23)16(22-20-14)11-3-1-4-11/h2,5,8-9,11H,1,3-4,6-7,10H2,(H,19,21)(H,20,22)
InChIKeyJQWVMEINLITDOH-UHFFFAOYSA-N
XLogP3.33
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

6-cyclobutyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 57334534
2-(1H-pyrazol-5-yl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 70687491
(7S)-7-benzyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 127047484
(7R)-7-ethyl-3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 127048109
[4-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24792095
3-(3-fluorophenyl)-5-(2-thienylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 42530235
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 95265878
9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56904423
N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 118740152
4-Phenyl-5-{[3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}-1,5-diazecan-2-one
CID 110200155
(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)(thiophen-2-yl)methanone
CID 17583876
1-{3-Phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL}-2-(thiophen-2-YL)ethan-1-one
CID 53185459

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (CID 31193245) is (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1cccs1)N1CCc2[nH]nc(C3CCC3)c2C1.
What is the InChIKey of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is JQWVMEINLITDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-18(12-9-19-21-17(12)15-5-2-8-25-15)23-7-6-14-13(10-23)16(22-20-14)11-3-1-4-11/h2,5,8-9,11H,1,3-4,6-7,10H2,(H,19,21)(H,20,22).
What are the key properties of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 353.45 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 31193245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).