N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine

C16H15Cl2N3S — CID 166187408

IUPACN-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1CNCc1ccsc1
InChIInChI=1S/C16H15Cl2N3S/c1-11-13(9-19-8-12-6-7-22-10-12)16(18)21(20-11)15-5-3-2-4-14(15)17/h2-7,10,19H,8-9H2,1H3
InChIKeyVUHXYCMOMKQWKD-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.84
Rot. Bonds5

About N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine

N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine (PubChem CID 166187408) has the molecular formula C16H15Cl2N3S and a molecular weight of 352.29 g/mol. Its IUPAC name is N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
PubChem CID166187408
Molecular FormulaC16H15Cl2N3S
Molecular Weight352.29 g/mol
Exact Mass351.04
IUPAC NameN-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1CNCc1ccsc1
InChIInChI=1S/C16H15Cl2N3S/c1-11-13(9-19-8-12-6-7-22-10-12)16(18)21(20-11)15-5-3-2-4-14(15)17/h2-7,10,19H,8-9H2,1H3
InChIKeyVUHXYCMOMKQWKD-UHFFFAOYSA-N
XLogP4.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol
CID 111469404
N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine
CID 75508270
5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole
CID 66023026
1-thiophen-3-yl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 78922167
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 82704691
N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
CID 117124675
N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 78810000
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 18117326
2,6-dichloro-4-[(thiophen-3-ylmethylamino)methyl]aniline
CID 82841230
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
CID 43156592
1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 66023034
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 60711401

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine (CID 166187408) is N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine is Cc1nn(-c2ccccc2Cl)c(Cl)c1CNCc1ccsc1.
What is the InChIKey of N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is VUHXYCMOMKQWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3S/c1-11-13(9-19-8-12-6-7-22-10-12)16(18)21(20-11)15-5-3-2-4-14(15)17/h2-7,10,19H,8-9H2,1H3.
What are the key properties of N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 352.29 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 166187408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).