N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine

C12H16ClN3S — CID 60711401

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCc1nn(C)c(Cl)c1CN(C)Cc1ccsc1
InChIInChI=1S/C12H16ClN3S/c1-9-11(12(13)16(3)14-9)7-15(2)6-10-4-5-17-8-10/h4-5,8H,6-7H2,1-3H3
InChIKeyKLCNKPLCVXGDTN-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.08
Rot. Bonds4

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 60711401) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID60711401
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCc1nn(C)c(Cl)c1CN(C)Cc1ccsc1
InChIInChI=1S/C12H16ClN3S/c1-9-11(12(13)16(3)14-9)7-15(2)6-10-4-5-17-8-10/h4-5,8H,6-7H2,1-3H3
InChIKeyKLCNKPLCVXGDTN-UHFFFAOYSA-N
XLogP3.08
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 61413584
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine
CID 61422691
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propan-2-ol
CID 62334987
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine
CID 167861737
methyl 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 62013204
1,3-dimethyl-5-[methyl(thiophen-3-ylmethyl)amino]pyrazole-4-carbothioamide
CID 63758073
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide
CID 138003433
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79476509
5-bromo-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpentan-1-amine
CID 107204911
N'-hydroxy-1,3-dimethyl-5-[methyl(thiophen-3-ylmethyl)amino]pyrazole-4-carboximidamide
CID 76952064
N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine
CID 80657330
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate
CID 62027451

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine (CID 60711401) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine is Cc1nn(C)c(Cl)c1CN(C)Cc1ccsc1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is KLCNKPLCVXGDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-9-11(12(13)16(3)14-9)7-15(2)6-10-4-5-17-8-10/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 269.80 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 60711401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).