5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid

C19H31N3O3 — CID 122056821

IUPAC5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCC(C)c1cc(C(=O)NC(CCC(=O)O)CC2CCCCC2)nn1C
InChIInChI=1S/C19H31N3O3/c1-13(2)17-12-16(21-22(17)3)19(25)20-15(9-10-18(23)24)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyDFKDECOYMHUUIN-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.48
Rot. Bonds8

About 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid

5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid (PubChem CID 122056821) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
PubChem CID122056821
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCC(C)c1cc(C(=O)NC(CCC(=O)O)CC2CCCCC2)nn1C
InChIInChI=1S/C19H31N3O3/c1-13(2)17-12-16(21-22(17)3)19(25)20-15(9-10-18(23)24)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyDFKDECOYMHUUIN-UHFFFAOYSA-N
XLogP3.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid (CID 122056821) is 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid is CC(C)c1cc(C(=O)NC(CCC(=O)O)CC2CCCCC2)nn1C.
What is the InChIKey of 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is DFKDECOYMHUUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13(2)17-12-16(21-22(17)3)19(25)20-15(9-10-18(23)24)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 349.48 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 122056821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).