3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide

C16H29N3O — CID 166375628

IUPAC3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide
SMILESCC(C)CC(C)CNC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C16H29N3O/c1-11(2)8-12(3)10-17-15(20)13-9-14(16(4,5)6)18-19(13)7/h9,11-12H,8,10H2,1-7H3,(H,17,20)
InChIKeyFWIYIGHUVHIRGZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.13
Rot. Bonds5

About 3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide

3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide (PubChem CID 166375628) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide
PubChem CID166375628
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide
SMILESCC(C)CC(C)CNC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C16H29N3O/c1-11(2)8-12(3)10-17-15(20)13-9-14(16(4,5)6)18-19(13)7/h9,11-12H,8,10H2,1-7H3,(H,17,20)
InChIKeyFWIYIGHUVHIRGZ-UHFFFAOYSA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-2-phenylpropanoic acid
CID 119254613
3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279589
N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119384846
3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119249467
3-tert-butyl-N-(3-hydroxypropyl)-1-methylpyrazole-5-carboxamide
CID 78897064
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
(2S)-2-benzyl-3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
CID 124695907
3-tert-butyl-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-5-carboxamide
CID 87023626
3-(3-tert-butyl-1-methylpyrazol-5-yl)-3-oxopropanoic acid
CID 170887044
N-(2-chloro-4-methylpentyl)-2,5-dimethylpyrazole-3-carboxamide
CID 107157214
3-tert-butyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
CID 87012608
3-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 110908840

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide (CID 166375628) is 3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide is CC(C)CC(C)CNC(=O)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of 3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is FWIYIGHUVHIRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11(2)8-12(3)10-17-15(20)13-9-14(16(4,5)6)18-19(13)7/h9,11-12H,8,10H2,1-7H3,(H,17,20).
What are the key properties of 3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide?
3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 166375628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).