N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide

C19H27N3O2 — CID 46114373

IUPACN-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1
InChIInChI=1S/C19H27N3O2/c1-6-7-8-18(23)20-17-13-16(19(2,3)4)21-22(17)14-9-11-15(24-5)12-10-14/h9-13H,6-8H2,1-5H3,(H,20,23)
InChIKeyCYBTYKCYCIZBGI-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.31
Rot. Bonds6

About N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide

N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide (PubChem CID 46114373) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide
PubChem CID46114373
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1
InChIInChI=1S/C19H27N3O2/c1-6-7-8-18(23)20-17-13-16(19(2,3)4)21-22(17)14-9-11-15(24-5)12-10-14/h9-13H,6-8H2,1-5H3,(H,20,23)
InChIKeyCYBTYKCYCIZBGI-UHFFFAOYSA-N
XLogP4.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethylpentanamide
CID 42733647
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide
CID 4570795
N-butyl-N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 3891628
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)heptanamide
CID 5136422
N-butyl-4-tert-butyl-N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 5217763
N-butyl-N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 42731776
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2-chloroacetyl)-propylamino]acetamide
CID 1052225
N-butyl-N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 4317514
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-pentylcyclobutanecarboxamide
CID 5040658
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-5-methoxypentanamide
CID 86871838
N-butyl-N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]naphthalene-1-carboxamide
CID 4556893
2-[butyl-[(2-ethylphenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]acetamide
CID 3925732

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide?
The IUPAC name of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide (CID 46114373) is N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide is CCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1.
What is the InChIKey of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide?
The InChIKey is CYBTYKCYCIZBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-6-7-8-18(23)20-17-13-16(19(2,3)4)21-22(17)14-9-11-15(24-5)12-10-14/h9-13H,6-8H2,1-5H3,(H,20,23).
What are the key properties of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide?
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide has a molecular weight of 329.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide is sourced from PubChem (CID 46114373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).