4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide

C10H10BrN5O — CID 114051422

IUPAC4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2ccc(Br)nc2)n1
InChIInChI=1S/C10H10BrN5O/c1-16-5-7(12)9(15-16)10(17)14-6-2-3-8(11)13-4-6/h2-5H,12H2,1H3,(H,14,17)
InChIKeyHRPNYBIFURAEML-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.41
Rot. Bonds2

About 4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide (PubChem CID 114051422) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
PubChem CID114051422
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2ccc(Br)nc2)n1
InChIInChI=1S/C10H10BrN5O/c1-16-5-7(12)9(15-16)10(17)14-6-2-3-8(11)13-4-6/h2-5H,12H2,1H3,(H,14,17)
InChIKeyHRPNYBIFURAEML-UHFFFAOYSA-N
XLogP1.41
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide
CID 65353904
4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 65355126
2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide
CID 114051740
4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide
CID 65354494
4-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-3-carboxamide
CID 65354860
N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide
CID 103789491
4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 65355175
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide
CID 103813937
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 116698676

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide (CID 114051422) is 4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)Nc2ccc(Br)nc2)n1.
What is the InChIKey of 4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is HRPNYBIFURAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c1-16-5-7(12)9(15-16)10(17)14-6-2-3-8(11)13-4-6/h2-5H,12H2,1H3,(H,14,17).
What are the key properties of 4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 296.13 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 114051422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).