2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C14H21ClN4S — CID 105039019

IUPAC2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1ccc(C)s1)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C14H21ClN4S/c1-10-5-6-12(20-10)13(16-2)14-11(15)9-17-19(14)8-7-18(3)4/h5-6,9,13,16H,7-8H2,1-4H3
InChIKeyUQXWOYNTHGKJGM-UHFFFAOYSA-N
MW312.87 g/mol
LogP2.78
Rot. Bonds6

About 2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105039019) has the molecular formula C14H21ClN4S and a molecular weight of 312.87 g/mol. Its IUPAC name is 2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105039019
Molecular FormulaC14H21ClN4S
Molecular Weight312.87 g/mol
Exact Mass312.12
IUPAC Name2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1ccc(C)s1)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C14H21ClN4S/c1-10-5-6-12(20-10)13(16-2)14-11(15)9-17-19(14)8-7-18(3)4/h5-6,9,13,16H,7-8H2,1-4H3
InChIKeyUQXWOYNTHGKJGM-UHFFFAOYSA-N
XLogP2.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039045
2-[5-[(5-bromo-4-methylthiophen-2-yl)-(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038987
2-[4-chloro-5-[methylamino-(6-methyl-3-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105182397
2-[4-chloro-5-[methylamino-(5-methylfuran-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105038992
2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105193337
2-[4-chloro-5-[(2-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105211079
2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105038996
2-[4-chloro-5-[methylamino-(2-methylcyclopropyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114655901
2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105261547
2-[5-[amino-(4,5-dimethylthiophen-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039108
2-[4-bromo-5-[methylamino-(4-methylphenyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114646966
2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105248398

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105039019) is 2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CNC(c1ccc(C)s1)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is UQXWOYNTHGKJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4S/c1-10-5-6-12(20-10)13(16-2)14-11(15)9-17-19(14)8-7-18(3)4/h5-6,9,13,16H,7-8H2,1-4H3.
What are the key properties of 2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 312.87 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105039019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).