4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide

C14H18BrN3OS — CID 56563157

IUPAC4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1n[nH]c(C(C)C)c1Br
InChIInChI=1S/C14H18BrN3OS/c1-4-18(8-10-6-5-7-20-10)14(19)13-11(15)12(9(2)3)16-17-13/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyANWAEKALCAFLMS-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.02
Rot. Bonds5

About 4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide

4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56563157) has the molecular formula C14H18BrN3OS and a molecular weight of 356.29 g/mol. Its IUPAC name is 4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID56563157
Molecular FormulaC14H18BrN3OS
Molecular Weight356.29 g/mol
Exact Mass355.04
IUPAC Name4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1n[nH]c(C(C)C)c1Br
InChIInChI=1S/C14H18BrN3OS/c1-4-18(8-10-6-5-7-20-10)14(19)13-11(15)12(9(2)3)16-17-13/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyANWAEKALCAFLMS-UHFFFAOYSA-N
XLogP4.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62077582
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 32581945
N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60655606
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390
N-benzyl-4-bromo-5-propan-2-yl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 56563826
4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562661
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indazole-7-carboxamide
CID 33033043

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 56563157) is 4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide is CCN(Cc1cccs1)C(=O)c1n[nH]c(C(C)C)c1Br.
What is the InChIKey of 4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ANWAEKALCAFLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3OS/c1-4-18(8-10-6-5-7-20-10)14(19)13-11(15)12(9(2)3)16-17-13/h5-7,9H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 356.29 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56563157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).