N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide

C11H18BrN3O — CID 107322076

IUPACN-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCCCBr)cnn1C
InChIInChI=1S/C11H18BrN3O/c1-9-10(8-14-15(9)2)11(16)13-7-5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyGBWWPLALIMGGRB-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.02
Rot. Bonds6

About N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide

N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 107322076) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID107322076
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC NameN-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCCCBr)cnn1C
InChIInChI=1S/C11H18BrN3O/c1-9-10(8-14-15(9)2)11(16)13-7-5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyGBWWPLALIMGGRB-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide
CID 106386535
N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 113364754
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
CID 107321851
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237
6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284540
N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 81482919
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 66187230

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide (CID 107322076) is N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCCCCCBr)cnn1C.
What is the InChIKey of N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is GBWWPLALIMGGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-9-10(8-14-15(9)2)11(16)13-7-5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 288.19 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 107322076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).