N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide

C18H20N4O2S — CID 121239429

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2cc(-c3ccsc3)n[nH]2)cc1
InChIInChI=1S/C18H20N4O2S/c1-22(2)8-9-24-15-5-3-14(4-6-15)19-18(23)17-11-16(20-21-17)13-7-10-25-12-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyKISWZRFTJYSONH-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.33
Rot. Bonds7

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 121239429) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
PubChem CID121239429
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2cc(-c3ccsc3)n[nH]2)cc1
InChIInChI=1S/C18H20N4O2S/c1-22(2)8-9-24-15-5-3-14(4-6-15)19-18(23)17-11-16(20-21-17)13-7-10-25-12-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyKISWZRFTJYSONH-UHFFFAOYSA-N
XLogP3.33
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide
CID 122207547
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
CID 60793170
methyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 121205064
N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 86898727
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 60793021
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766
ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 165461517
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508699
2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119844245

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide (CID 121239429) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide is CN(C)CCOc1ccc(NC(=O)c2cc(-c3ccsc3)n[nH]2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is KISWZRFTJYSONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-22(2)8-9-24-15-5-3-14(4-6-15)19-18(23)17-11-16(20-21-17)13-7-10-25-12-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121239429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).