1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C17H16ClN3S — CID 82587515

IUPAC1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESClc1ccc(Cn2nc(-c3cccs3)c3c2CCNC3)cc1
InChIInChI=1S/C17H16ClN3S/c18-13-5-3-12(4-6-13)11-21-15-7-8-19-10-14(15)17(20-21)16-2-1-9-22-16/h1-6,9,19H,7-8,10-11H2
InChIKeyIDSSJXDEWPGJTN-UHFFFAOYSA-N
MW329.86 g/mol
LogP3.96
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82587515) has the molecular formula C17H16ClN3S and a molecular weight of 329.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82587515
Molecular FormulaC17H16ClN3S
Molecular Weight329.86 g/mol
Exact Mass329.08
IUPAC Name1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESClc1ccc(Cn2nc(-c3cccs3)c3c2CCNC3)cc1
InChIInChI=1S/C17H16ClN3S/c18-13-5-3-12(4-6-13)11-21-15-7-8-19-10-14(15)17(20-21)16-2-1-9-22-16/h1-6,9,19H,7-8,10-11H2
InChIKeyIDSSJXDEWPGJTN-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.86
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-c]azepine
CID 59752572
2-[4-(3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile
CID 82587545
1-(2-chloroethyl)-3-thiophen-2-yl-4,5,6,7-tetrahydroindazole
CID 121214628
1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587041
5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 141467458
4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid
CID 110458993
3-[[3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepin-1-yl]methyl]phenol
CID 59752536
1-(3,5-dichlorophenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4031592
3-tert-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110458959
3-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 59752604
methyl 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoate
CID 110458994
4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 82043862

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82587515) is 1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Clc1ccc(Cn2nc(-c3cccs3)c3c2CCNC3)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is IDSSJXDEWPGJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3S/c18-13-5-3-12(4-6-13)11-21-15-7-8-19-10-14(15)17(20-21)16-2-1-9-22-16/h1-6,9,19H,7-8,10-11H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 329.86 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82587515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).