N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide

C28H43N5O3 — CID 3556721

IUPACN'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCCC(=O)NCCCN2CCCCC2C)cc1
InChIInChI=1S/C28H43N5O3/c1-21-10-6-7-18-32(21)19-9-17-29-26(34)11-8-12-27(35)30-25-20-24(28(2,3)4)31-33(25)22-13-15-23(36-5)16-14-22/h13-16,20-21H,6-12,17-19H2,1-5H3,(H,29,34)(H,30,35)
InChIKeyIZTHEVQYUBAXJO-UHFFFAOYSA-N
MW497.68 g/mol
LogP4.67
Rot. Bonds11

About N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide

N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide (PubChem CID 3556721) has the molecular formula C28H43N5O3 and a molecular weight of 497.68 g/mol. Its IUPAC name is N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide.

Molecular Properties

Compound NameN'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide
PubChem CID3556721
Molecular FormulaC28H43N5O3
Molecular Weight497.68 g/mol
Exact Mass497.34
IUPAC NameN'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCCC(=O)NCCCN2CCCCC2C)cc1
InChIInChI=1S/C28H43N5O3/c1-21-10-6-7-18-32(21)19-9-17-29-26(34)11-8-12-27(35)30-25-20-24(28(2,3)4)31-33(25)22-13-15-23(36-5)16-14-22/h13-16,20-21H,6-12,17-19H2,1-5H3,(H,29,34)(H,30,35)
InChIKeyIZTHEVQYUBAXJO-UHFFFAOYSA-N
XLogP4.67
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.68
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide
CID 46114373
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide
CID 42734102
N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide
CID 4242290
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-pentylcyclobutanecarboxamide
CID 5040658
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)cyclohexanecarboxamide
CID 4648754
2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 3269136
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide
CID 42731482
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 42755478
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethylpentanamide
CID 42733647
2-tert-butyl-7-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4236035
5-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-5-oxopentanoic acid
CID 5227802
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
CID 42740757

Frequently Asked Questions

What is the IUPAC name of N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide?
The IUPAC name of N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide (CID 3556721) is N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide.
What is the SMILES notation for N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide?
The canonical SMILES for N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide is COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCCC(=O)NCCCN2CCCCC2C)cc1.
What is the InChIKey of N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide?
The InChIKey is IZTHEVQYUBAXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N5O3/c1-21-10-6-7-18-32(21)19-9-17-29-26(34)11-8-12-27(35)30-25-20-24(28(2,3)4)31-33(25)22-13-15-23(36-5)16-14-22/h13-16,20-21H,6-12,17-19H2,1-5H3,(H,29,34)(H,30,35).
What are the key properties of N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide?
N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide has a molecular weight of 497.68 g/mol, XLogP of 4.67, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]pentanediamide is sourced from PubChem (CID 3556721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).