N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide

C10H11BrClN5O — CID 19333073

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)c2[nH]ncc2Cl)n1
InChIInChI=1S/C10H11BrClN5O/c1-2-17-5-6(11)8(16-17)4-13-10(18)9-7(12)3-14-15-9/h3,5H,2,4H2,1H3,(H,13,18)(H,14,15)
InChIKeyVREJTRBVAMMZAK-UHFFFAOYSA-N
MW332.59 g/mol
LogP1.97
Rot. Bonds4

About N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide (PubChem CID 19333073) has the molecular formula C10H11BrClN5O and a molecular weight of 332.59 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide
PubChem CID19333073
Molecular FormulaC10H11BrClN5O
Molecular Weight332.59 g/mol
Exact Mass330.98
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)c2[nH]ncc2Cl)n1
InChIInChI=1S/C10H11BrClN5O/c1-2-17-5-6(11)8(16-17)4-13-10(18)9-7(12)3-14-15-9/h3,5H,2,4H2,1H3,(H,13,18)(H,14,15)
InChIKeyVREJTRBVAMMZAK-UHFFFAOYSA-N
XLogP1.97
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-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-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19333314
4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19479345
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-iodobenzamide
CID 19333078
N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19295823
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 19333183
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19333135
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19333202
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-[(2-chlorophenoxy)methyl]benzamide
CID 19333126
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19333164
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19333233
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19479317
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19333212

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide (CID 19333073) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide is CCn1cc(Br)c(CNC(=O)c2[nH]ncc2Cl)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide?
The InChIKey is VREJTRBVAMMZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN5O/c1-2-17-5-6(11)8(16-17)4-13-10(18)9-7(12)3-14-15-9/h3,5H,2,4H2,1H3,(H,13,18)(H,14,15).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide has a molecular weight of 332.59 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19333073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).