N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide

C21H30N4O3 — CID 4242290

IUPACN'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide
SMILESCOCCCNC(=O)CCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C21H30N4O3/c1-21(2,3)17-15-18(25(24-17)16-9-6-5-7-10-16)23-20(27)12-11-19(26)22-13-8-14-28-4/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyDUHTXGMQVWDWFF-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.04
Rot. Bonds9

About N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide

N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide (PubChem CID 4242290) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide.

Molecular Properties

Compound NameN'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide
PubChem CID4242290
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide
SMILESCOCCCNC(=O)CCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C21H30N4O3/c1-21(2,3)17-15-18(25(24-17)16-9-6-5-7-10-16)23-20(27)12-11-19(26)22-13-8-14-28-4/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyDUHTXGMQVWDWFF-UHFFFAOYSA-N
XLogP3.04
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-fluorophenyl)pyrazol-5-yl]-5-methoxypentanamide
CID 86871838
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
CID 4259022
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide
CID 46114373
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
2-[butyl-(2-methoxyacetyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42733145
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42735357
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
2-[acetyl(3-methoxypropyl)amino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 42735042
2-[benzyl(butylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740989
N'-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-N-(2-piperidin-1-ylethyl)butanediamide
CID 5145991

Frequently Asked Questions

What is the IUPAC name of N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide?
The IUPAC name of N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide (CID 4242290) is N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide.
What is the SMILES notation for N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide?
The canonical SMILES for N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide is COCCCNC(=O)CCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1.
What is the InChIKey of N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide?
The InChIKey is DUHTXGMQVWDWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-21(2,3)17-15-18(25(24-17)16-9-6-5-7-10-16)23-20(27)12-11-19(26)22-13-8-14-28-4/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide?
N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide has a molecular weight of 386.50 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide is sourced from PubChem (CID 4242290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).