N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide

C20H29N3O2 — CID 55727328

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cc(C)nn2C(C)(C)C)cc1
InChIInChI=1S/C20H29N3O2/c1-6-7-8-13-25-17-11-9-16(10-12-17)19(24)21-18-14-15(2)22-23(18)20(3,4)5/h9-12,14H,6-8,13H2,1-5H3,(H,21,24)
InChIKeyJKWXUSKKXZUSLR-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.77
Rot. Bonds7

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide (PubChem CID 55727328) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide
PubChem CID55727328
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cc(C)nn2C(C)(C)C)cc1
InChIInChI=1S/C20H29N3O2/c1-6-7-8-13-25-17-11-9-16(10-12-17)19(24)21-18-14-15(2)22-23(18)20(3,4)5/h9-12,14H,6-8,13H2,1-5H3,(H,21,24)
InChIKeyJKWXUSKKXZUSLR-UHFFFAOYSA-N
XLogP4.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-pentoxybenzohydrazide
CID 2727702
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11863897
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide
CID 119524229
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108763111
N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide
CID 91741143
3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753903
4-heptoxy-N-[4-[4-[(4-heptoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4951178
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide (CID 55727328) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2cc(C)nn2C(C)(C)C)cc1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide?
The InChIKey is JKWXUSKKXZUSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-6-7-8-13-25-17-11-9-16(10-12-17)19(24)21-18-14-15(2)22-23(18)20(3,4)5/h9-12,14H,6-8,13H2,1-5H3,(H,21,24).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide has a molecular weight of 343.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide is sourced from PubChem (CID 55727328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).