N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

C17H26N4OS — CID 74240783

IUPACN-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)c2cnn(C(C)C)c2)s1
InChIInChI=1S/C17H26N4OS/c1-13(2)21-11-15(10-18-21)17(22)20(9-8-19(4)5)12-16-7-6-14(3)23-16/h6-7,10-11,13H,8-9,12H2,1-5H3
InChIKeyCXUQMVREGKKRCJ-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 74240783) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID74240783
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)c2cnn(C(C)C)c2)s1
InChIInChI=1S/C17H26N4OS/c1-13(2)21-11-15(10-18-21)17(22)20(9-8-19(4)5)12-16-7-6-14(3)23-16/h6-7,10-11,13H,8-9,12H2,1-5H3
InChIKeyCXUQMVREGKKRCJ-UHFFFAOYSA-N
XLogP3.04
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 74240783) is N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is Cc1ccc(CN(CCN(C)C)C(=O)c2cnn(C(C)C)c2)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is CXUQMVREGKKRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-13(2)21-11-15(10-18-21)17(22)20(9-8-19(4)5)12-16-7-6-14(3)23-16/h6-7,10-11,13H,8-9,12H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 74240783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).