2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C15H23ClN4S — CID 105038996

IUPAC2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1sccc1C)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C15H23ClN4S/c1-5-17-13(15-11(2)6-9-21-15)14-12(16)10-18-20(14)8-7-19(3)4/h6,9-10,13,17H,5,7-8H2,1-4H3
InChIKeyMSYCVXSPWVWGBZ-UHFFFAOYSA-N
MW326.90 g/mol
LogP3.17
Rot. Bonds7

About 2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105038996) has the molecular formula C15H23ClN4S and a molecular weight of 326.90 g/mol. Its IUPAC name is 2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105038996
Molecular FormulaC15H23ClN4S
Molecular Weight326.90 g/mol
Exact Mass326.13
IUPAC Name2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1sccc1C)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C15H23ClN4S/c1-5-17-13(15-11(2)6-9-21-15)14-12(16)10-18-20(14)8-7-19(3)4/h6,9-10,13,17H,5,7-8H2,1-4H3
InChIKeyMSYCVXSPWVWGBZ-UHFFFAOYSA-N
XLogP3.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.90
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652413
2-[4-chloro-5-[(2-chlorofuran-3-yl)-(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106693083
2-[4-chloro-5-[ethylamino-(1-methylpyrazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114654433
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105042817
2-[4-chloro-5-[ethylamino(pyridin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114647189
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethylthiophen-2-yl)methanol
CID 115834330
2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114659302
2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039019
2-[4-chloro-5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039045
2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105193337
2-[5-[amino-(3-chlorothiophen-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041078
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408254

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105038996) is 2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CCNC(c1sccc1C)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is MSYCVXSPWVWGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4S/c1-5-17-13(15-11(2)6-9-21-15)14-12(16)10-18-20(14)8-7-19(3)4/h6,9-10,13,17H,5,7-8H2,1-4H3.
What are the key properties of 2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 326.90 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105038996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).