1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride

C12H15Cl2N3S — CID 162131122

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
SMILESCc1nn(Cc2ccc(Cl)s2)c2c1CCNC2.Cl
InChIInChI=1S/C12H14ClN3S.ClH/c1-8-10-4-5-14-6-11(10)16(15-8)7-9-2-3-12(13)17-9;/h2-3,14H,4-7H2,1H3;1H
InChIKeyNTKUNQBCMIRVQW-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.02
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride

1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride (PubChem CID 162131122) has the molecular formula C12H15Cl2N3S and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
PubChem CID162131122
Molecular FormulaC12H15Cl2N3S
Molecular Weight304.25 g/mol
Exact Mass303.04
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
SMILESCc1nn(Cc2ccc(Cl)s2)c2c1CCNC2.Cl
InChIInChI=1S/C12H14ClN3S.ClH/c1-8-10-4-5-14-6-11(10)16(15-8)7-9-2-3-12(13)17-9;/h2-3,14H,4-7H2,1H3;1H
InChIKeyNTKUNQBCMIRVQW-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride with MolForge

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Related Compounds

3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 130214355
3-(4-chlorophenyl)-2-[(5-chlorothiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 24873026
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole
CID 63812244
1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
CID 130203009
N-[[1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43647937
1-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide
CID 60548228
2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 98009854
[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
CID 107557705
1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923162
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine
CID 63861880
3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586468
1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine
CID 64844415

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride (CID 162131122) is 1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride is Cc1nn(Cc2ccc(Cl)s2)c2c1CCNC2.Cl.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride?
The InChIKey is NTKUNQBCMIRVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S.ClH/c1-8-10-4-5-14-6-11(10)16(15-8)7-9-2-3-12(13)17-9;/h2-3,14H,4-7H2,1H3;1H.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride?
1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride has a molecular weight of 304.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride is sourced from PubChem (CID 162131122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).