N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide

C14H17BrN4O — CID 178131379

IUPACN-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide
SMILESCc1c(Br)nn(CC(Cc2ccccn2)NC=O)c1C
InChIInChI=1S/C14H17BrN4O/c1-10-11(2)19(18-14(10)15)8-13(17-9-20)7-12-5-3-4-6-16-12/h3-6,9,13H,7-8H2,1-2H3,(H,17,20)
InChIKeyQGNPKNBPOJRCTP-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.01
Rot. Bonds6

About N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide

N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide (PubChem CID 178131379) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide
PubChem CID178131379
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC NameN-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide
SMILESCc1c(Br)nn(CC(Cc2ccccn2)NC=O)c1C
InChIInChI=1S/C14H17BrN4O/c1-10-11(2)19(18-14(10)15)8-13(17-9-20)7-12-5-3-4-6-16-12/h3-6,9,13H,7-8H2,1-2H3,(H,17,20)
InChIKeyQGNPKNBPOJRCTP-UHFFFAOYSA-N
XLogP2.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenyl-2-pyridin-2-ylethyl)formamide
CID 57000523
2-(4-bromophenyl)-3-pyridin-2-ylpropanal
CID 174426840
1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
CID 64784536
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996
2-amino-3-pyridin-2-ylpropanal
CID 22556784
2-bromo-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide
CID 91652329
(4-methyl-1-pyridin-2-ylpentan-2-yl)hydrazine
CID 105198827
1-pyridin-2-ylpentan-2-ylhydrazine
CID 105199777
[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105264531
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine
CID 102803941
N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine
CID 66044585
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide?
The IUPAC name of N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide (CID 178131379) is N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide.
What is the SMILES notation for N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide?
The canonical SMILES for N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide is Cc1c(Br)nn(CC(Cc2ccccn2)NC=O)c1C.
What is the InChIKey of N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide?
The InChIKey is QGNPKNBPOJRCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-10-11(2)19(18-14(10)15)8-13(17-9-20)7-12-5-3-4-6-16-12/h3-6,9,13H,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide?
N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide has a molecular weight of 337.22 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpropan-2-yl]formamide is sourced from PubChem (CID 178131379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).