4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide

C13H17BrN4OS — CID 66124474

IUPAC4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C13H17BrN4OS/c1-4-18-12(11(15)8(2)16-18)13(19)17(3)6-9-5-10(14)20-7-9/h5,7H,4,6,15H2,1-3H3
InChIKeySCFFXXFIDRTJMW-UHFFFAOYSA-N
MW357.28 g/mol
LogP2.89
Rot. Bonds4

About 4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide

4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide (PubChem CID 66124474) has the molecular formula C13H17BrN4OS and a molecular weight of 357.28 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide
PubChem CID66124474
Molecular FormulaC13H17BrN4OS
Molecular Weight357.28 g/mol
Exact Mass356.03
IUPAC Name4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C13H17BrN4OS/c1-4-18-12(11(15)8(2)16-18)13(19)17(3)6-9-5-10(14)20-7-9/h5,7H,4,6,15H2,1-3H3
InChIKeySCFFXXFIDRTJMW-UHFFFAOYSA-N
XLogP2.89
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
CID 66125622
4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide
CID 66122905
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
ethyl 2-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]acetate
CID 47390511
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 62186650
4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide
CID 66123079
N-[(5-bromothiophen-3-yl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616948
methyl 3-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
CID 66123492
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
4-amino-1-ethyl-3-methyl-N,N-dipropylpyrazole-5-carboxamide
CID 66123658

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide (CID 66124474) is 4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide?
The InChIKey is SCFFXXFIDRTJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4OS/c1-4-18-12(11(15)8(2)16-18)13(19)17(3)6-9-5-10(14)20-7-9/h5,7H,4,6,15H2,1-3H3.
What are the key properties of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide?
4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide has a molecular weight of 357.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66124474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).