N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide

C14H24ClN3O — CID 114149579

IUPACN-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C14H24ClN3O/c1-5-18-12(9-11(2)17-18)13(19)16-10-14(3,4)7-6-8-15/h9H,5-8,10H2,1-4H3,(H,16,19)
InChIKeyUVDIHLWBOZIREF-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.99
Rot. Bonds7

About N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 114149579) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID114149579
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C14H24ClN3O/c1-5-18-12(9-11(2)17-18)13(19)16-10-14(3,4)7-6-8-15/h9H,5-8,10H2,1-4H3,(H,16,19)
InChIKeyUVDIHLWBOZIREF-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.99
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

2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide
CID 111485478
N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide
CID 114148938
N-(1-chloro-2-methylbutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114303846
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
CID 113351807
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797
2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
CID 66127823
N-[3-(dimethylamino)-2-hydroxypropyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110281351
N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114146447
N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 107595898
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114307110
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113156

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 114149579) is N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCC(C)(C)CCCCl.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is UVDIHLWBOZIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-5-18-12(9-11(2)17-18)13(19)16-10-14(3,4)7-6-8-15/h9H,5-8,10H2,1-4H3,(H,16,19).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 285.82 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 114149579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).