4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide

C19H33N3O — CID 30288420

IUPAC4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C19H33N3O/c1-14-13-15(2)22(21-14)12-6-11-20-18(23)16-7-9-17(10-8-16)19(3,4)5/h13,16-17H,6-12H2,1-5H3,(H,20,23)
InChIKeyWPRGEXUXVPDDFY-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.86
Rot. Bonds5

About 4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide

4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 30288420) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide
PubChem CID30288420
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C19H33N3O/c1-14-13-15(2)22(21-14)12-6-11-20-18(23)16-7-9-17(10-8-16)19(3,4)5/h13,16-17H,6-12H2,1-5H3,(H,20,23)
InChIKeyWPRGEXUXVPDDFY-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide (CID 30288420) is 4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide is Cc1cc(C)n(CCCNC(=O)C2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is WPRGEXUXVPDDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-14-13-15(2)22(21-14)12-6-11-20-18(23)16-7-9-17(10-8-16)19(3,4)5/h13,16-17H,6-12H2,1-5H3,(H,20,23).
What are the key properties of 4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide?
4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 319.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 30288420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).