N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide

C15H21ClN4OS — CID 138003433

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide
SMILESCc1nn(C)c(Cl)c1CN(C)C(=O)c1sccc1CN(C)C
InChIInChI=1S/C15H21ClN4OS/c1-10-12(14(16)20(5)17-10)9-19(4)15(21)13-11(6-7-22-13)8-18(2)3/h6-7H,8-9H2,1-5H3
InChIKeyDIMQJYMBCVRPQK-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.78
Rot. Bonds5

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 138003433) has the molecular formula C15H21ClN4OS and a molecular weight of 340.88 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide
PubChem CID138003433
Molecular FormulaC15H21ClN4OS
Molecular Weight340.88 g/mol
Exact Mass340.11
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide
SMILESCc1nn(C)c(Cl)c1CN(C)C(=O)c1sccc1CN(C)C
InChIInChI=1S/C15H21ClN4OS/c1-10-12(14(16)20(5)17-10)9-19(4)15(21)13-11(6-7-22-13)8-18(2)3/h6-7H,8-9H2,1-5H3
InChIKeyDIMQJYMBCVRPQK-UHFFFAOYSA-N
XLogP2.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide (CID 138003433) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide is Cc1nn(C)c(Cl)c1CN(C)C(=O)c1sccc1CN(C)C.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is DIMQJYMBCVRPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4OS/c1-10-12(14(16)20(5)17-10)9-19(4)15(21)13-11(6-7-22-13)8-18(2)3/h6-7H,8-9H2,1-5H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 340.88 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-[(dimethylamino)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 138003433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).