N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide

C13H16BrClN6O — CID 86657413

IUPACN-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1ncc(Br)nc1N
InChIInChI=1S/C13H16BrClN6O/c1-13(2,3)9-7(15)8(21(4)20-9)12(22)19-11-10(16)18-6(14)5-17-11/h5H,1-4H3,(H2,16,18)(H,17,19,22)
InChIKeyLJKYQVRHESPGEQ-UHFFFAOYSA-N
MW387.67 g/mol
LogP2.76
Rot. Bonds2

About N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide

N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide (PubChem CID 86657413) has the molecular formula C13H16BrClN6O and a molecular weight of 387.67 g/mol. Its IUPAC name is N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide
PubChem CID86657413
Molecular FormulaC13H16BrClN6O
Molecular Weight387.67 g/mol
Exact Mass386.03
IUPAC NameN-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1ncc(Br)nc1N
InChIInChI=1S/C13H16BrClN6O/c1-13(2,3)9-7(15)8(21(4)20-9)12(22)19-11-10(16)18-6(14)5-17-11/h5H,1-4H3,(H2,16,18)(H,17,19,22)
InChIKeyLJKYQVRHESPGEQ-UHFFFAOYSA-N
XLogP2.76
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.67
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4771991
N-(3-amino-5-bromopyrazin-2-yl)-5-fluoropyridine-2-carboxamide
CID 166104185
3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 166985904
N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481522
4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481723
5-bromo-3-tert-butyl-4-chloro-1-methylpyrazole
CID 146943793
4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481630
N-[(4-tert-butylphenyl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24865554
4-chloro-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481523
4-chloro-N-(3-hydroxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506719
4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121059
4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
CID 113255851

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide (CID 86657413) is N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide is Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1ncc(Br)nc1N.
What is the InChIKey of N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide?
The InChIKey is LJKYQVRHESPGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN6O/c1-13(2,3)9-7(15)8(21(4)20-9)12(22)19-11-10(16)18-6(14)5-17-11/h5H,1-4H3,(H2,16,18)(H,17,19,22).
What are the key properties of N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide?
N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide has a molecular weight of 387.67 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 86657413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).