N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide

C9H8Br2N4OS — CID 80537776

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide
SMILESNc1[nH]ncc1CNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H8Br2N4OS/c10-5-1-6(17-7(5)11)9(16)13-2-4-3-14-15-8(4)12/h1,3H,2H2,(H,13,16)(H3,12,14,15)
InChIKeyXMEBXBMMZNMIGM-UHFFFAOYSA-N
MW380.07 g/mol
LogP2.51
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide (PubChem CID 80537776) has the molecular formula C9H8Br2N4OS and a molecular weight of 380.07 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide
PubChem CID80537776
Molecular FormulaC9H8Br2N4OS
Molecular Weight380.07 g/mol
Exact Mass377.88
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide
SMILESNc1[nH]ncc1CNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H8Br2N4OS/c10-5-1-6(17-7(5)11)9(16)13-2-4-3-14-15-8(4)12/h1,3H,2H2,(H,13,16)(H3,12,14,15)
InChIKeyXMEBXBMMZNMIGM-UHFFFAOYSA-N
XLogP2.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.07
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 79531188
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
CID 114022797
4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 3398298
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 79531339
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 47099600
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
CID 60668533
4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide
CID 80538790
N-[(3-amino-4-methoxyphenyl)methyl]-4,5-dibromothiophene-2-carboxamide
CID 80536756

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide (CID 80537776) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide is Nc1[nH]ncc1CNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide?
The InChIKey is XMEBXBMMZNMIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N4OS/c10-5-1-6(17-7(5)11)9(16)13-2-4-3-14-15-8(4)12/h1,3H,2H2,(H,13,16)(H3,12,14,15).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide has a molecular weight of 380.07 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 80537776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).