N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide

C10H16BrN3O — CID 102811310

IUPACN-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCC(C)Br
InChIInChI=1S/C10H16BrN3O/c1-4-9-8(6-14(3)13-9)10(15)12-5-7(2)11/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeyDEUOBMGZSCTZDE-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.50
Rot. Bonds4

About N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide

N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 102811310) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID102811310
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCC(C)Br
InChIInChI=1S/C10H16BrN3O/c1-4-9-8(6-14(3)13-9)10(15)12-5-7(2)11/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeyDEUOBMGZSCTZDE-UHFFFAOYSA-N
XLogP1.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 103894225
(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833163
N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894223
4-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 102810267
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944
3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
N-[(E)-4-chlorobut-2-enyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810780
N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809915
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
CID 103919211
3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 107231636

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 102811310) is N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NCC(C)Br.
What is the InChIKey of N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is DEUOBMGZSCTZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-9-8(6-14(3)13-9)10(15)12-5-7(2)11/h6-7H,4-5H2,1-3H3,(H,12,15).
What are the key properties of N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102811310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).