5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C15H19N3S — CID 29001496

IUPAC5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1csc(Cc2n[nH]c3c2CN(C2CCC2)CC3)c1
InChIInChI=1S/C15H19N3S/c1-3-11(4-1)18-7-6-14-13(10-18)15(17-16-14)9-12-5-2-8-19-12/h2,5,8,11H,1,3-4,6-7,9-10H2,(H,16,17)
InChIKeyQAYHZVZSIQDUAP-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.97
Rot. Bonds3

About 5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 29001496) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID29001496
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1csc(Cc2n[nH]c3c2CN(C2CCC2)CC3)c1
InChIInChI=1S/C15H19N3S/c1-3-11(4-1)18-7-6-14-13(10-18)15(17-16-14)9-12-5-2-8-19-12/h2,5,8,11H,1,3-4,6-7,9-10H2,(H,16,17)
InChIKeyQAYHZVZSIQDUAP-UHFFFAOYSA-N
XLogP2.97
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylbenzyl)-4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidine
CID 1488673
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CID 7075534
1-Phenethyl-4-(5-thiophen-2-yl-1H-pyrazol-3-yl)-piperidine
CID 10497179
Propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 44316823
(4,5,6,7-Tetrahydro-2H-indazol-5-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 14539722
4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine
CID 176376104
5-Methylsulfonyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 28097452
1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
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6-[(5-Methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 97404941
N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine
CID 97516791
N,N-dimethyl-1-[6-[(5-methylthiophen-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine
CID 97516793
N-methyl-1-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]-N-{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}methanamine
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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 29001496) is 5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is c1csc(Cc2n[nH]c3c2CN(C2CCC2)CC3)c1.
What is the InChIKey of 5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is QAYHZVZSIQDUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-11(4-1)18-7-6-14-13(10-18)15(17-16-14)9-12-5-2-8-19-12/h2,5,8,11H,1,3-4,6-7,9-10H2,(H,16,17).
What are the key properties of 5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 273.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 29001496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).