1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide

C10H12BrN5O — CID 19271904

IUPAC1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide
SMILESCCNC(=O)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C10H12BrN5O/c1-2-12-10(17)9-3-4-15(14-9)7-16-6-8(11)5-13-16/h3-6H,2,7H2,1H3,(H,12,17)
InChIKeyQCMKMKICHCDCQS-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.10
Rot. Bonds4

About 1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide

1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide (PubChem CID 19271904) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide
PubChem CID19271904
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide
SMILESCCNC(=O)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C10H12BrN5O/c1-2-12-10(17)9-3-4-15(14-9)7-16-6-8(11)5-13-16/h3-6H,2,7H2,1H3,(H,12,17)
InChIKeyQCMKMKICHCDCQS-UHFFFAOYSA-N
XLogP1.10
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-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

1-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19271709
1-[(4-bromopyrazol-1-yl)methyl]-N-butan-2-ylpyrazole-3-carboxamide
CID 19271750
1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide
CID 19271719
1-[(4-bromopyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19271850
4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19271796
1-[(4-bromopyrazol-1-yl)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19271730
1-[(4-bromopyrazol-1-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 19271925
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19271635
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19271760
N,1-diethylpyrazole-3-carboxamide
CID 19262384
4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19271889
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-bromopyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19282907

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide?
The IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide (CID 19271904) is 1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide is CCNC(=O)c1ccn(Cn2cc(Br)cn2)n1.
What is the InChIKey of 1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide?
The InChIKey is QCMKMKICHCDCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-2-12-10(17)9-3-4-15(14-9)7-16-6-8(11)5-13-16/h3-6H,2,7H2,1H3,(H,12,17).
What are the key properties of 1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide?
1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19271904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).