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

C17H16FN3S — CID 28731916

IUPAC3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1cccc(-c2n[nH]c3c2CN(Cc2ccsc2)CC3)c1
InChIInChI=1S/C17H16FN3S/c18-14-3-1-2-13(8-14)17-15-10-21(6-4-16(15)19-20-17)9-12-5-7-22-11-12/h1-3,5,7-8,11H,4,6,9-10H2,(H,19,20)
InChIKeyMFNCCJOOQKALPF-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.84
Rot. Bonds3

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

3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 28731916) has the molecular formula C17H16FN3S and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID28731916
Molecular FormulaC17H16FN3S
Molecular Weight313.40 g/mol
Exact Mass313.10
IUPAC Name3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1cccc(-c2n[nH]c3c2CN(Cc2ccsc2)CC3)c1
InChIInChI=1S/C17H16FN3S/c18-14-3-1-2-13(8-14)17-15-10-21(6-4-16(15)19-20-17)9-12-5-7-22-11-12/h1-3,5,7-8,11H,4,6,9-10H2,(H,19,20)
InChIKeyMFNCCJOOQKALPF-UHFFFAOYSA-N
XLogP3.84
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
CID 16190435
1-(4-methylbenzyl)-4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidine
CID 1488673
4-[5-(2-thienyl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)benzyl]piperidine
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
5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16191379
3-(3-fluorophenyl)-5-(2-thienylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 42530235
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
CID 46996306
5-[[3-(3,4-Difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole
CID 56751406
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
CID 56714764

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 28731916) is 3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is Fc1cccc(-c2n[nH]c3c2CN(Cc2ccsc2)CC3)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is MFNCCJOOQKALPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S/c18-14-3-1-2-13(8-14)17-15-10-21(6-4-16(15)19-20-17)9-12-5-7-22-11-12/h1-3,5,7-8,11H,4,6,9-10H2,(H,19,20).
What are the key properties of 3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 313.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(thiophen-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 28731916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).